N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide

C18H28N2O3 — CID 110839273

IUPACN-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCCCCO
InChIInChI=1S/C18H28N2O3/c21-15-9-3-8-13-19-17(22)12-6-2-7-14-20-18(23)16-10-4-1-5-11-16/h1,4-5,10-11,21H,2-3,6-9,12-15H2,(H,19,22)(H,20,23)
InChIKeyDRRLGBIHYLQQSS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.26
Rot. Bonds12

About N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide

N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide (PubChem CID 110839273) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
PubChem CID110839273
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCCCCO
InChIInChI=1S/C18H28N2O3/c21-15-9-3-8-13-19-17(22)12-6-2-7-14-20-18(23)16-10-4-1-5-11-16/h1,4-5,10-11,21H,2-3,6-9,12-15H2,(H,19,22)(H,20,23)
InChIKeyDRRLGBIHYLQQSS-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-(8-benzamidooctyl)-N'-(1,3-dihydroxypropan-2-yl)butanediamide
CID 16751773
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
CID 151632783
[3-(5-hydroxypentanoylamino)propylamino] benzoate
CID 126587234

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide?
The IUPAC name of N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide (CID 110839273) is N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)NCCCCCO.
What is the InChIKey of N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide?
The InChIKey is DRRLGBIHYLQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-15-9-3-8-13-19-17(22)12-6-2-7-14-20-18(23)16-10-4-1-5-11-16/h1,4-5,10-11,21H,2-3,6-9,12-15H2,(H,19,22)(H,20,23).
What are the key properties of N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide?
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.26, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide is sourced from PubChem (CID 110839273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).