N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide

C16H24N2O3 — CID 110839352

IUPACN-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
SMILESCC(O)CNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(19)12-18-15(20)10-6-3-7-11-17-16(21)14-8-4-2-5-9-14/h2,4-5,8-9,13,19H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyLCGBFOJUPVBHTO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.47
Rot. Bonds9

About N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide

N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide (PubChem CID 110839352) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
PubChem CID110839352
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
SMILESCC(O)CNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(19)12-18-15(20)10-6-3-7-11-17-16(21)14-8-4-2-5-9-14/h2,4-5,8-9,13,19H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyLCGBFOJUPVBHTO-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.47
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-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide?
The IUPAC name of N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide (CID 110839352) is N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide is CC(O)CNC(=O)CCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide?
The InChIKey is LCGBFOJUPVBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)12-18-15(20)10-6-3-7-11-17-16(21)14-8-4-2-5-9-14/h2,4-5,8-9,13,19H,3,6-7,10-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide?
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide is sourced from PubChem (CID 110839352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).