3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide

C23H23N3O2 — CID 54795361

IUPAC3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CCc2ccc(N)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-26(21-8-3-2-4-9-21)23(28)18-6-5-7-20(16-18)25-22(27)15-12-17-10-13-19(24)14-11-17/h2-11,13-14,16H,12,15,24H2,1H3,(H,25,27)
InChIKeyWTSWSUIWHNFSHR-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.12
Rot. Bonds6

About 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide

3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 54795361) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
PubChem CID54795361
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CCc2ccc(N)cc2)c1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-26(21-8-3-2-4-9-21)23(28)18-6-5-7-20(16-18)25-22(27)15-12-17-10-13-19(24)14-11-17/h2-11,13-14,16H,12,15,24H2,1H3,(H,25,27)
InChIKeyWTSWSUIWHNFSHR-UHFFFAOYSA-N
XLogP4.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide (CID 54795361) is 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)CCc2ccc(N)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is WTSWSUIWHNFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(21-8-3-2-4-9-21)23(28)18-6-5-7-20(16-18)25-22(27)15-12-17-10-13-19(24)14-11-17/h2-11,13-14,16H,12,15,24H2,1H3,(H,25,27).
What are the key properties of 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide?
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).