2-cyano-N-(3-ethylcyclohexyl)acetamide

C11H18N2O — CID 64748833

IUPAC2-cyano-N-(3-ethylcyclohexyl)acetamide
SMILESCCC1CCCC(NC(=O)CC#N)C1
InChIInChI=1S/C11H18N2O/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12/h9-10H,2-6,8H2,1H3,(H,13,14)
InChIKeyWPVHYDJDLKSTEM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds3

About 2-cyano-N-(3-ethylcyclohexyl)acetamide

2-cyano-N-(3-ethylcyclohexyl)acetamide (PubChem CID 64748833) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-cyano-N-(3-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethylcyclohexyl)acetamide
PubChem CID64748833
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-cyano-N-(3-ethylcyclohexyl)acetamide
SMILESCCC1CCCC(NC(=O)CC#N)C1
InChIInChI=1S/C11H18N2O/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12/h9-10H,2-6,8H2,1H3,(H,13,14)
InChIKeyWPVHYDJDLKSTEM-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-cyclopentylacetamide
CID 5093205
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
CID 64747634
N-(3-ethylcyclohexyl)-5-hydroxypentanamide
CID 79210264
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617
1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 64749228
N-cyclohexyl-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64742794
N-(2-cyanoethyl)-2-[(3-ethylcyclohexyl)amino]acetamide
CID 64743964
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethylcyclohexyl)acetamide?
The IUPAC name of 2-cyano-N-(3-ethylcyclohexyl)acetamide (CID 64748833) is 2-cyano-N-(3-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-ethylcyclohexyl)acetamide is CCC1CCCC(NC(=O)CC#N)C1.
What is the InChIKey of 2-cyano-N-(3-ethylcyclohexyl)acetamide?
The InChIKey is WPVHYDJDLKSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12/h9-10H,2-6,8H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(3-ethylcyclohexyl)acetamide?
2-cyano-N-(3-ethylcyclohexyl)acetamide has a molecular weight of 194.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethylcyclohexyl)acetamide is sourced from PubChem (CID 64748833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).