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159888-25-2 | Benzamide, 2-[(1S)-1-methyl-3-buten-1-yl]-N,N-bis(1-methylethyl)-
CAS No: 159888-25-2 Catalog No: AG001RHF MDL No:
Product Description
Catalog Number:
AG001RHF
Chemical Name:
Benzamide, 2-[(1S)-1-methyl-3-buten-1-yl]-N,N-bis(1-methylethyl)-
CAS Number:
159888-25-2
Molecular Formula:
C18H27NO
Molecular Weight:
273.4131
IUPAC Name:
2-[(2S)-pent-4-en-2-yl]-N,N-di(propan-2-yl)benzamide
InChI:
InChI=1S/C18H27NO/c1-7-10-15(6)16-11-8-9-12-17(16)18(20)19(13(2)3)14(4)5/h7-9,11-15H,1,10H2,2-6H3/t15-/m0/s1
InChI Key:
PNEYBYDCSQEUOF-HNNXBMFYSA-N
SMILES:
C=CC[C@@H](c1ccccc1C(=O)N(C(C)C)C(C)C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.42g/mol
Monoisotopic Mass:
273.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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