3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide

C15H22N2O — CID 43371351

IUPAC3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c16-14-8-5-12(6-9-14)7-10-15(18)17-11-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-11,16H2,(H,17,18)
InChIKeyGNPGDSAMMQZIJO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide

3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide (PubChem CID 43371351) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
PubChem CID43371351
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c16-14-8-5-12(6-9-14)7-10-15(18)17-11-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-11,16H2,(H,17,18)
InChIKeyGNPGDSAMMQZIJO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790
4-[3-oxo-3-(thian-4-ylmethylamino)propyl]benzoic acid
CID 119182872
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide (CID 43371351) is 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide is Nc1ccc(CCC(=O)NCC2CCCC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide?
The InChIKey is GNPGDSAMMQZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14-8-5-12(6-9-14)7-10-15(18)17-11-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-11,16H2,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide?
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide is sourced from PubChem (CID 43371351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).