N-acetyl-N-decylacetamide

C14H27NO2 — CID 57029087

IUPACN-acetyl-N-decylacetamide
SMILESCCCCCCCCCCN(C(C)=O)C(C)=O
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-12-15(13(2)16)14(3)17/h4-12H2,1-3H3
InChIKeyIIFGLKNEDNJVBH-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.52
Rot. Bonds9

About N-acetyl-N-decylacetamide

N-acetyl-N-decylacetamide (PubChem CID 57029087) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-acetyl-N-decylacetamide.

Molecular Properties

Compound NameN-acetyl-N-decylacetamide
PubChem CID57029087
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-acetyl-N-decylacetamide
SMILESCCCCCCCCCCN(C(C)=O)C(C)=O
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-12-15(13(2)16)14(3)17/h4-12H2,1-3H3
InChIKeyIIFGLKNEDNJVBH-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetyl(pentyl)carbamic acid
CID 87957714
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N-decyl-N-methylacetamide
CID 22114742
N-heptyl-N-hydroxyacetamide
CID 71399613
ethane;N-methyl-N-octylacetamide
CID 142531459
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
N-nitroso-N-octadecylacetamide
CID 172967572
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-decylacetamide?
The IUPAC name of N-acetyl-N-decylacetamide (CID 57029087) is N-acetyl-N-decylacetamide.
What is the SMILES notation for N-acetyl-N-decylacetamide?
The canonical SMILES for N-acetyl-N-decylacetamide is CCCCCCCCCCN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-decylacetamide?
The InChIKey is IIFGLKNEDNJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-12-15(13(2)16)14(3)17/h4-12H2,1-3H3.
What are the key properties of N-acetyl-N-decylacetamide?
N-acetyl-N-decylacetamide has a molecular weight of 241.37 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-decylacetamide is sourced from PubChem (CID 57029087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).