N-[4-(butylamino)-4-oxobutyl]benzamide

C15H22N2O2 — CID 78795173

IUPACN-[4-(butylamino)-4-oxobutyl]benzamide
SMILESCCCCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-16-14(18)10-7-12-17-15(19)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyDSHYSNLKFYMLFM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds8

About N-[4-(butylamino)-4-oxobutyl]benzamide

N-[4-(butylamino)-4-oxobutyl]benzamide (PubChem CID 78795173) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(butylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(butylamino)-4-oxobutyl]benzamide
PubChem CID78795173
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(butylamino)-4-oxobutyl]benzamide
SMILESCCCCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-16-14(18)10-7-12-17-15(19)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyDSHYSNLKFYMLFM-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(butylamino)-4-oxobutyl]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-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
CID 119668614
N-butyl-4-phenylbenzamide
CID 3637649
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(4-oxopentyl)benzamide
CID 10798281
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(butylamino)-4-oxobutyl]benzamide (CID 78795173) is N-[4-(butylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(butylamino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(butylamino)-4-oxobutyl]benzamide is CCCCNC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(butylamino)-4-oxobutyl]benzamide?
The InChIKey is DSHYSNLKFYMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-11-16-14(18)10-7-12-17-15(19)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-(butylamino)-4-oxobutyl]benzamide?
N-[4-(butylamino)-4-oxobutyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 78795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).