2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide

C17H27N3O — CID 63233776

IUPAC2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-12-20(16-10-8-14(18)9-11-16)13(2)17(21)19-15-6-4-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyPGJLWQHXDDDZRE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide

2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide (PubChem CID 63233776) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
PubChem CID63233776
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-12-20(16-10-8-14(18)9-11-16)13(2)17(21)19-15-6-4-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyPGJLWQHXDDDZRE-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide 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-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
CID 43275576
2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
CID 63233875
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
2-(6-aminoindazol-1-yl)-N-cyclohexylpropanamide
CID 43646607
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide (CID 63233776) is 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide is CCCN(c1ccc(N)cc1)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide?
The InChIKey is PGJLWQHXDDDZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-12-20(16-10-8-14(18)9-11-16)13(2)17(21)19-15-6-4-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide?
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 63233776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).