4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide

C19H23N3O2 — CID 119277683

IUPAC4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)16-10-8-15(9-11-16)13-21-18(23)17(20)12-14-6-4-3-5-7-14/h3-11,17H,12-13,20H2,1-2H3,(H,21,23)
InChIKeyAQWADHGUJLGSIK-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.57
Rot. Bonds6

About 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide

4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 119277683) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID119277683
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)16-10-8-15(9-11-16)13-21-18(23)17(20)12-14-6-4-3-5-7-14/h3-11,17H,12-13,20H2,1-2H3,(H,21,23)
InChIKeyAQWADHGUJLGSIK-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide (CID 119277683) is 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)C(N)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is AQWADHGUJLGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)19(24)16-10-8-15(9-11-16)13-21-18(23)17(20)12-14-6-4-3-5-7-14/h3-11,17H,12-13,20H2,1-2H3,(H,21,23).
What are the key properties of 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 119277683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).