4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide

C19H23N3O2 — CID 119950298

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-12-21-19(24)15-8-10-16(11-9-15)22-18(23)13-17(20)14-6-4-3-5-7-14/h3-11,17H,2,12-13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXTZGLKROPHBMDB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.86
Rot. Bonds7

About 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide

4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide (PubChem CID 119950298) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
PubChem CID119950298
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-12-21-19(24)15-8-10-16(11-9-15)22-18(23)13-17(20)14-6-4-3-5-7-14/h3-11,17H,2,12-13,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXTZGLKROPHBMDB-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclopentylbenzamide;hydrochloride
CID 119949582
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 119949768
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide (CID 119950298) is 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide?
The InChIKey is XTZGLKROPHBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-12-21-19(24)15-8-10-16(11-9-15)22-18(23)13-17(20)14-6-4-3-5-7-14/h3-11,17H,2,12-13,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide?
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 119950298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).