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69715-03-3 | Pentanamide, 2-methyl-N-[4-(1-methylethyl)phenyl]-
CAS No: 69715-03-3 Catalog No: AG005ISE MDL No:
Product Description
Catalog Number:
AG005ISE
Chemical Name:
Pentanamide, 2-methyl-N-[4-(1-methylethyl)phenyl]-
CAS Number:
69715-03-3
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
IUPAC Name:
2-methyl-N-(4-propan-2-ylphenyl)pentanamide
InChI:
InChI=1S/C15H23NO/c1-5-6-12(4)15(17)16-14-9-7-13(8-10-14)11(2)3/h7-12H,5-6H2,1-4H3,(H,16,17)
InChI Key:
YJCYQFBMDIUBAR-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)Nc1ccc(cc1)C(C)C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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