2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide

C13H19N3O3 — CID 65227942

IUPAC2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-2-4-11(8-14)13(17)15-9-10-5-3-6-12(7-10)16(18)19/h3,5-7,11H,2,4,8-9,14H2,1H3,(H,15,17)
InChIKeyUKZBMDXMNDQBNN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.59
Rot. Bonds7

About 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide

2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide (PubChem CID 65227942) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
PubChem CID65227942
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-2-4-11(8-14)13(17)15-9-10-5-3-6-12(7-10)16(18)19/h3,5-7,11H,2,4,8-9,14H2,1H3,(H,15,17)
InChIKeyUKZBMDXMNDQBNN-UHFFFAOYSA-N
XLogP1.59
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.59
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'}

Analyze 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[(3-nitrophenyl)methyl]hexanamide
CID 94460302
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
(2S)-2-amino-3-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 55084111
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347
3-chloro-2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 62726682
3,3-dimethyl-2-[(3-nitrophenyl)methylcarbamoyl]butanoic acid
CID 116537087
N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 43179524
ethyl 2-[(3-nitrophenyl)methylamino]-2-oxoacetate
CID 10658438
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-N-[(3-nitrophenyl)methyl]propane-1,2-diamine
CID 103389797

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide (CID 65227942) is 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide is CCCC(CN)C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide?
The InChIKey is UKZBMDXMNDQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-4-11(8-14)13(17)15-9-10-5-3-6-12(7-10)16(18)19/h3,5-7,11H,2,4,8-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide?
2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide has a molecular weight of 265.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide is sourced from PubChem (CID 65227942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).