2-[amino(benzoyl)amino]-N,3-diphenylpropanamide

C22H21N3O2 — CID 118301380

IUPAC2-[amino(benzoyl)amino]-N,3-diphenylpropanamide
SMILESNN(C(=O)c1ccccc1)C(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2/c23-25(22(27)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)21(26)24-19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,26)
InChIKeyUSQAPPBUNHAEQM-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds6

About 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide

2-[amino(benzoyl)amino]-N,3-diphenylpropanamide (PubChem CID 118301380) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name2-[amino(benzoyl)amino]-N,3-diphenylpropanamide
PubChem CID118301380
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[amino(benzoyl)amino]-N,3-diphenylpropanamide
SMILESNN(C(=O)c1ccccc1)C(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N3O2/c23-25(22(27)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)21(26)24-19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,26)
InChIKeyUSQAPPBUNHAEQM-UHFFFAOYSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
4-[(2-benzyl-3-sulfanylpropanoyl)amino]benzamide
CID 19842346
N-[1-(4-carbamimidoylanilino)-1-oxo-3-phenylpropan-2-yl]-N-(cyclohexylmethyl)benzamide
CID 73296797
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
CID 143862419
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118

Frequently Asked Questions

What is the IUPAC name of 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide?
The IUPAC name of 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide (CID 118301380) is 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide.
What is the SMILES notation for 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide?
The canonical SMILES for 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide is NN(C(=O)c1ccccc1)C(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide?
The InChIKey is USQAPPBUNHAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-25(22(27)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)21(26)24-19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,26).
What are the key properties of 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide?
2-[amino(benzoyl)amino]-N,3-diphenylpropanamide has a molecular weight of 359.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(benzoyl)amino]-N,3-diphenylpropanamide is sourced from PubChem (CID 118301380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).