2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide

C16H26N2O — CID 63002980

IUPAC2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
SMILESCC(C)CCCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)7-6-10-18-16(19)15(12-17)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyIDINPQATHAWUDF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds8

About 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide

2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide (PubChem CID 63002980) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
PubChem CID63002980
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
SMILESCC(C)CCCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-13(2)7-6-10-18-16(19)15(12-17)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyIDINPQATHAWUDF-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide 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

2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 123901383
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291040
[(2R)-3-amino-1-[[(2R)-1-(5-methylhexylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]azanide;rubidium(1+)
CID 171639637
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxopentanoate
CID 91928942
benzyl N-(6-methylheptyl)carbamate
CID 59918495
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide (CID 63002980) is 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide is CC(C)CCCNC(=O)C(CN)Cc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide?
The InChIKey is IDINPQATHAWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)7-6-10-18-16(19)15(12-17)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide?
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide is sourced from PubChem (CID 63002980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).