3-amino-N-(4-anilinophenyl)-3-phenylpropanamide

C21H21N3O — CID 57278352

IUPAC3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c22-20(16-7-3-1-4-8-16)15-21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-14,20,23H,15,22H2,(H,24,25)
InChIKeyIOHCRBFIZRAMHE-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.46
Rot. Bonds6

About 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide

3-amino-N-(4-anilinophenyl)-3-phenylpropanamide (PubChem CID 57278352) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
PubChem CID57278352
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c22-20(16-7-3-1-4-8-16)15-21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-14,20,23H,15,22H2,(H,24,25)
InChIKeyIOHCRBFIZRAMHE-UHFFFAOYSA-N
XLogP4.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101486990
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3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103823688
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
4-(4-carbamoylanilino)-4-oxo-2-phenylbutanoic acid
CID 42930491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide (CID 57278352) is 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide is NC(CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide?
The InChIKey is IOHCRBFIZRAMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c22-20(16-7-3-1-4-8-16)15-21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-14,20,23H,15,22H2,(H,24,25).
What are the key properties of 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide?
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-anilinophenyl)-3-phenylpropanamide is sourced from PubChem (CID 57278352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).