N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide

C19H22N2O2 — CID 8698353

IUPACN,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
SMILESC[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(15-7-5-4-6-8-15)13-18(22)20-17-11-9-16(10-12-17)19(23)21(2)3/h4-12,14H,13H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyFOWLYPCNWOURKT-AWEZNQCLSA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds5

About N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide

N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide (PubChem CID 8698353) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
PubChem CID8698353
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
SMILESC[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(15-7-5-4-6-8-15)13-18(22)20-17-11-9-16(10-12-17)19(23)21(2)3/h4-12,14H,13H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyFOWLYPCNWOURKT-AWEZNQCLSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 46823749
4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide (CID 8698353) is N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide is C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide?
The InChIKey is FOWLYPCNWOURKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(15-7-5-4-6-8-15)13-18(22)20-17-11-9-16(10-12-17)19(23)21(2)3/h4-12,14H,13H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide?
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide is sourced from PubChem (CID 8698353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).