2-cyano-N-(2-cyclohexyloxyethyl)acetamide

C11H18N2O2 — CID 63828131

IUPAC2-cyano-N-(2-cyclohexyloxyethyl)acetamide
SMILESN#CCC(=O)NCCOC1CCCCC1
InChIInChI=1S/C11H18N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h10H,1-6,8-9H2,(H,13,14)
InChIKeyBDOCMFVOFGKFCA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.37
Rot. Bonds5

About 2-cyano-N-(2-cyclohexyloxyethyl)acetamide

2-cyano-N-(2-cyclohexyloxyethyl)acetamide (PubChem CID 63828131) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclohexyloxyethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclohexyloxyethyl)acetamide
PubChem CID63828131
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyano-N-(2-cyclohexyloxyethyl)acetamide
SMILESN#CCC(=O)NCCOC1CCCCC1
InChIInChI=1S/C11H18N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h10H,1-6,8-9H2,(H,13,14)
InChIKeyBDOCMFVOFGKFCA-UHFFFAOYSA-N
XLogP1.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclohexyloxyethyl)acetamide?
The IUPAC name of 2-cyano-N-(2-cyclohexyloxyethyl)acetamide (CID 63828131) is 2-cyano-N-(2-cyclohexyloxyethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-cyclohexyloxyethyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-cyclohexyloxyethyl)acetamide is N#CCC(=O)NCCOC1CCCCC1.
What is the InChIKey of 2-cyano-N-(2-cyclohexyloxyethyl)acetamide?
The InChIKey is BDOCMFVOFGKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h10H,1-6,8-9H2,(H,13,14).
What are the key properties of 2-cyano-N-(2-cyclohexyloxyethyl)acetamide?
2-cyano-N-(2-cyclohexyloxyethyl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyclohexyloxyethyl)acetamide is sourced from PubChem (CID 63828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).