N-(1-oxohexan-2-yl)decanamide

C16H31NO2 — CID 57129531

IUPACN-(1-oxohexan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C=O)CCCC
InChIInChI=1S/C16H31NO2/c1-3-5-7-8-9-10-11-13-16(19)17-15(14-18)12-6-4-2/h14-15H,3-13H2,1-2H3,(H,17,19)
InChIKeyDSOXGEUCQIGEHP-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.00
Rot. Bonds13

About N-(1-oxohexan-2-yl)decanamide

N-(1-oxohexan-2-yl)decanamide (PubChem CID 57129531) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(1-oxohexan-2-yl)decanamide.

Molecular Properties

Compound NameN-(1-oxohexan-2-yl)decanamide
PubChem CID57129531
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(1-oxohexan-2-yl)decanamide
SMILESCCCCCCCCCC(=O)NC(C=O)CCCC
InChIInChI=1S/C16H31NO2/c1-3-5-7-8-9-10-11-13-16(19)17-15(14-18)12-6-4-2/h14-15H,3-13H2,1-2H3,(H,17,19)
InChIKeyDSOXGEUCQIGEHP-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395
(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
CID 135254438
N-pentan-2-ylundecanamide
CID 173258559
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxybutyl)decanamide
CID 87762139
N-octadecan-2-ylhexadecanamide
CID 87600664
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
N-pentan-3-yldocosanamide
CID 123339332
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104

Frequently Asked Questions

What is the IUPAC name of N-(1-oxohexan-2-yl)decanamide?
The IUPAC name of N-(1-oxohexan-2-yl)decanamide (CID 57129531) is N-(1-oxohexan-2-yl)decanamide.
What is the SMILES notation for N-(1-oxohexan-2-yl)decanamide?
The canonical SMILES for N-(1-oxohexan-2-yl)decanamide is CCCCCCCCCC(=O)NC(C=O)CCCC.
What is the InChIKey of N-(1-oxohexan-2-yl)decanamide?
The InChIKey is DSOXGEUCQIGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-7-8-9-10-11-13-16(19)17-15(14-18)12-6-4-2/h14-15H,3-13H2,1-2H3,(H,17,19).
What are the key properties of N-(1-oxohexan-2-yl)decanamide?
N-(1-oxohexan-2-yl)decanamide has a molecular weight of 269.43 g/mol, XLogP of 4.00, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxohexan-2-yl)decanamide is sourced from PubChem (CID 57129531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).