CAS 245679-66-7 | Benzoic acid, 4-[(cyclohexylamino)carbonyl]-, methyl ester | CAS Number 245679-66-7

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245679-66-7 | Benzoic acid, 4-[(cyclohexylamino)carbonyl]-, methyl ester

CAS No: 245679-66-7 Catalog No: AG002OKO MDL No:MFCD07844233

Product Description

Catalog Number:

AG002OKO

Chemical Name:

Benzoic acid, 4-[(cyclohexylamino)carbonyl]-, methyl ester

CAS Number:

245679-66-7

Molecular Formula:

C15H19NO3

Molecular Weight:

261.3163

MDL Number:

MFCD07844233

IUPAC Name:

methyl 4-(cyclohexylcarbamoyl)benzoate

InChI:

InChI=1S/C15H19NO3/c1-19-15(18)12-9-7-11(8-10-12)14(17)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,16,17)

InChI Key:

MKPYUKXWEWMAOM-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)C(=O)NC1CCCCC1

Properties

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.321g/mol

Monoisotopic Mass:

261.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides.	Nature chemistry 20120221
2,4-Dichloro-N-cyclo-hexyl-benzamide.	Acta crystallographica. Section E, Structure reports online 20080501