N-(2-amino-4-methylphenyl)pentanamide

C12H18N2O — CID 15069418

IUPACN-(2-amino-4-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C12H18N2O/c1-3-4-5-12(15)14-11-7-6-9(2)8-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyWPIHMSGYYXMALX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.71
Rot. Bonds4

About N-(2-amino-4-methylphenyl)pentanamide

N-(2-amino-4-methylphenyl)pentanamide (PubChem CID 15069418) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)pentanamide
PubChem CID15069418
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2-amino-4-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C12H18N2O/c1-3-4-5-12(15)14-11-7-6-9(2)8-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyWPIHMSGYYXMALX-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-methylphenyl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)pentanamide?
The IUPAC name of N-(2-amino-4-methylphenyl)pentanamide (CID 15069418) is N-(2-amino-4-methylphenyl)pentanamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)pentanamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)pentanamide is CCCCC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of N-(2-amino-4-methylphenyl)pentanamide?
The InChIKey is WPIHMSGYYXMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-12(15)14-11-7-6-9(2)8-10(11)13/h6-8H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-4-methylphenyl)pentanamide?
N-(2-amino-4-methylphenyl)pentanamide has a molecular weight of 206.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)pentanamide is sourced from PubChem (CID 15069418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).