N-[3-(hexylamino)-3-oxopropyl]benzamide

C16H24N2O2 — CID 17154430

IUPACN-[3-(hexylamino)-3-oxopropyl]benzamide
SMILESCCCCCCNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-12-17-15(19)11-13-18-16(20)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyZTGFMAILNKNIOR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds9

About N-[3-(hexylamino)-3-oxopropyl]benzamide

N-[3-(hexylamino)-3-oxopropyl]benzamide (PubChem CID 17154430) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(hexylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(hexylamino)-3-oxopropyl]benzamide
PubChem CID17154430
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(hexylamino)-3-oxopropyl]benzamide
SMILESCCCCCCNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-12-17-15(19)11-13-18-16(20)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyZTGFMAILNKNIOR-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
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-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-octadec-9-enylbenzamide
CID 54554566
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
CID 131885807
CID 131885807
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
1H-azepine;N-pentylbenzamide
CID 175240845
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(hexylamino)-3-oxopropyl]benzamide (CID 17154430) is N-[3-(hexylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(hexylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(hexylamino)-3-oxopropyl]benzamide is CCCCCCNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(hexylamino)-3-oxopropyl]benzamide?
The InChIKey is ZTGFMAILNKNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-8-12-17-15(19)11-13-18-16(20)14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(hexylamino)-3-oxopropyl]benzamide?
N-[3-(hexylamino)-3-oxopropyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 17154430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).