2-amino-N-(4-nitrophenyl)-3-phenylpropanamide

C15H15N3O3 — CID 577808

IUPAC2-amino-N-(4-nitrophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-14(10-11-4-2-1-3-5-11)15(19)17-12-6-8-13(9-7-12)18(20)21/h1-9,14H,10,16H2,(H,17,19)
InChIKeyGJHIOWXZFDVUKQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide

2-amino-N-(4-nitrophenyl)-3-phenylpropanamide (PubChem CID 577808) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-nitrophenyl)-3-phenylpropanamide
PubChem CID577808
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-amino-N-(4-nitrophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-14(10-11-4-2-1-3-5-11)15(19)17-12-6-8-13(9-7-12)18(20)21/h1-9,14H,10,16H2,(H,17,19)
InChIKeyGJHIOWXZFDVUKQ-UHFFFAOYSA-N
XLogP2.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide (CID 577808) is 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide?
The InChIKey is GJHIOWXZFDVUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(10-11-4-2-1-3-5-11)15(19)17-12-6-8-13(9-7-12)18(20)21/h1-9,14H,10,16H2,(H,17,19).
What are the key properties of 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide?
2-amino-N-(4-nitrophenyl)-3-phenylpropanamide has a molecular weight of 285.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 577808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).