N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide

C15H23N3O2 — CID 106241045

IUPACN-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCCC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-10-17-13-8-6-12(7-9-13)15(20)18-11-4-3-5-14(16)19/h6-9,17H,2-5,10-11H2,1H3,(H2,16,19)(H,18,20)
InChIKeyHBAADXRVHQQZPK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds9

About N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide

N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide (PubChem CID 106241045) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
PubChem CID106241045
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCCCC(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-10-17-13-8-6-12(7-9-13)15(20)18-11-4-3-5-14(16)19/h6-9,17H,2-5,10-11H2,1H3,(H2,16,19)(H,18,20)
InChIKeyHBAADXRVHQQZPK-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-5-oxopentyl)-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-pentyl-4-(propylamino)benzamide
CID 62185567
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N-ethyl-4-(hexylamino)benzamide
CID 43728484
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide (CID 106241045) is N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCCCC(N)=O)cc1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide?
The InChIKey is HBAADXRVHQQZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-10-17-13-8-6-12(7-9-13)15(20)18-11-4-3-5-14(16)19/h6-9,17H,2-5,10-11H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide?
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide is sourced from PubChem (CID 106241045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).