2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide

C15H22N2O — CID 106591805

IUPAC2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
SMILESCC(C(=O)NCC(C)C1CC1)c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-10(12-6-7-12)9-17-15(18)11(2)13-4-3-5-14(16)8-13/h3-5,8,10-12H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyWHKVVURDKQQBPH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide

2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide (PubChem CID 106591805) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
PubChem CID106591805
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
SMILESCC(C(=O)NCC(C)C1CC1)c1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-10(12-6-7-12)9-17-15(18)11(2)13-4-3-5-14(16)8-13/h3-5,8,10-12H,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyWHKVVURDKQQBPH-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide 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-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide (CID 106591805) is 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide is CC(C(=O)NCC(C)C1CC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide?
The InChIKey is WHKVVURDKQQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(12-6-7-12)9-17-15(18)11(2)13-4-3-5-14(16)8-13/h3-5,8,10-12H,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide?
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide is sourced from PubChem (CID 106591805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).