N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide

C20H24N2O2 — CID 134039082

IUPACN,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
SMILESCC(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(17-7-5-4-6-8-17)13-19(23)21-14-16-9-11-18(12-10-16)20(24)22(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyWEXOWXWPIPEXAC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.20
Rot. Bonds6

About N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide

N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide (PubChem CID 134039082) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
PubChem CID134039082
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
SMILESCC(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(17-7-5-4-6-8-17)13-19(23)21-14-16-9-11-18(12-10-16)20(24)22(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,23)
InChIKeyWEXOWXWPIPEXAC-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-phenylbutanoyl]amino]propyl]benzamide
CID 139568810
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
CID 119165475
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide (CID 134039082) is N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide is CC(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide?
The InChIKey is WEXOWXWPIPEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(17-7-5-4-6-8-17)13-19(23)21-14-16-9-11-18(12-10-16)20(24)22(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,23).
What are the key properties of N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide?
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide is sourced from PubChem (CID 134039082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).