N-[3-oxo-3-(pentylamino)propyl]benzamide

C15H22N2O2 — CID 17154443

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

About N-[3-oxo-3-(pentylamino)propyl]benzamide

N-[3-oxo-3-(pentylamino)propyl]benzamide (PubChem CID 17154443) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-oxo-3-(pentylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pentylamino)propyl]benzamide
PubChem CID17154443
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-oxo-3-(pentylamino)propyl]benzamide
SMILESCCCCCNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-7-11-16-14(18)10-12-17-15(19)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyFGASTIYQFJVBKZ-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'}

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Related Compounds

N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-octadec-9-enylbenzamide
CID 54554566
1H-azepine;N-pentylbenzamide
CID 175240845
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
CID 131885807
CID 131885807
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pentylamino)propyl]benzamide?
The IUPAC name of N-[3-oxo-3-(pentylamino)propyl]benzamide (CID 17154443) is N-[3-oxo-3-(pentylamino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-(pentylamino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-(pentylamino)propyl]benzamide is CCCCCNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-(pentylamino)propyl]benzamide?
The InChIKey is FGASTIYQFJVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-7-11-16-14(18)10-12-17-15(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-[3-oxo-3-(pentylamino)propyl]benzamide?
N-[3-oxo-3-(pentylamino)propyl]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-[3-oxo-3-(pentylamino)propyl]benzamide is sourced from PubChem (CID 17154443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).