N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide

C23H23N3O2 — CID 54795617

IUPACN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-5-2-3-8-21(16)23(28)26-20-12-10-19(11-13-20)25-22(27)14-9-17-6-4-7-18(24)15-17/h2-8,10-13,15H,9,14,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyGFTOBEUZRVLTKP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide

N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide (PubChem CID 54795617) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
PubChem CID54795617
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-16-5-2-3-8-21(16)23(28)26-20-12-10-19(11-13-20)25-22(27)14-9-17-6-4-7-18(24)15-17/h2-8,10-13,15H,9,14,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyGFTOBEUZRVLTKP-UHFFFAOYSA-N
XLogP4.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
3-phenylpropyl 5-[4-[(2-methylbenzoyl)amino]anilino]-5-oxopentanoate
CID 17251597

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide (CID 54795617) is N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2cccc(N)c2)cc1.
What is the InChIKey of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide?
The InChIKey is GFTOBEUZRVLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-5-2-3-8-21(16)23(28)26-20-12-10-19(11-13-20)25-22(27)14-9-17-6-4-7-18(24)15-17/h2-8,10-13,15H,9,14,24H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide?
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 54795617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).