1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide

C13H20N2O2 — CID 80593471

IUPAC1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCOC2CCCCC2)CC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-7-13)12(16)15-8-9-17-11-4-2-1-3-5-11/h11H,1-9H2,(H,15,16)
InChIKeyAPKZHYJVTGUMPR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds5

About 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide

1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide (PubChem CID 80593471) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
PubChem CID80593471
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCOC2CCCCC2)CC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-7-13)12(16)15-8-9-17-11-4-2-1-3-5-11/h11H,1-9H2,(H,15,16)
InChIKeyAPKZHYJVTGUMPR-UHFFFAOYSA-N
XLogP1.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
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

1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide
CID 63827760
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
CID 80592219
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
CID 113362898
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide (CID 80593471) is 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide is N#CC1(C(=O)NCCOC2CCCCC2)CC1.
What is the InChIKey of 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide?
The InChIKey is APKZHYJVTGUMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(6-7-13)12(16)15-8-9-17-11-4-2-1-3-5-11/h11H,1-9H2,(H,15,16).
What are the key properties of 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide?
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).