N-(3-cyclopentylpropyl)-4-(propylamino)benzamide

C18H28N2O — CID 106015559

IUPACN-(3-cyclopentylpropyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCC2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-13-19-17-11-9-16(10-12-17)18(21)20-14-5-8-15-6-3-4-7-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyORCJIYLBJXMZNN-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds8

About N-(3-cyclopentylpropyl)-4-(propylamino)benzamide

N-(3-cyclopentylpropyl)-4-(propylamino)benzamide (PubChem CID 106015559) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-4-(propylamino)benzamide
PubChem CID106015559
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3-cyclopentylpropyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCC2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-13-19-17-11-9-16(10-12-17)18(21)20-14-5-8-15-6-3-4-7-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyORCJIYLBJXMZNN-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentylpropyl)-4-(propylamino)benzamide 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

N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
CID 106009628
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
CID 62181510
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-4-(propylamino)benzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-4-(propylamino)benzamide (CID 106015559) is N-(3-cyclopentylpropyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCCC2CCCC2)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-4-(propylamino)benzamide?
The InChIKey is ORCJIYLBJXMZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-13-19-17-11-9-16(10-12-17)18(21)20-14-5-8-15-6-3-4-7-15/h9-12,15,19H,2-8,13-14H2,1H3,(H,20,21).
What are the key properties of N-(3-cyclopentylpropyl)-4-(propylamino)benzamide?
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-4-(propylamino)benzamide is sourced from PubChem (CID 106015559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).