2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide

C16H19N3O — CID 110483800

IUPAC2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
SMILESNc1cccc(CNC(=O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c17-14-8-4-7-13(9-14)11-19-16(20)15(18)10-12-5-2-1-3-6-12/h1-9,15H,10-11,17-18H2,(H,19,20)
InChIKeyZWKPMAZLSMVBLW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide

2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide (PubChem CID 110483800) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
PubChem CID110483800
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
SMILESNc1cccc(CNC(=O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C16H19N3O/c17-14-8-4-7-13(9-14)11-19-16(20)15(18)10-12-5-2-1-3-6-12/h1-9,15H,10-11,17-18H2,(H,19,20)
InChIKeyZWKPMAZLSMVBLW-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.46
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

(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119315356
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
(2S)-2-amino-3-phenylpropanoic acid;aniline
CID 159455369
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide (CID 110483800) is 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide is Nc1cccc(CNC(=O)C(N)Cc2ccccc2)c1.
What is the InChIKey of 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide?
The InChIKey is ZWKPMAZLSMVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-14-8-4-7-13(9-14)11-19-16(20)15(18)10-12-5-2-1-3-6-12/h1-9,15H,10-11,17-18H2,(H,19,20).
What are the key properties of 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide?
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 110483800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).