N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C14H24N2O2 — CID 61461703

IUPACN-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-3-9-16(10-11-17)13(18)14(12-15)7-5-4-6-8-14/h17H,2-11H2,1H3
InChIKeyNICOJKWNRUNUHB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.08
Rot. Bonds6

About N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 61461703) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID61461703
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-3-9-16(10-11-17)13(18)14(12-15)7-5-4-6-8-14/h17H,2-11H2,1H3
InChIKeyNICOJKWNRUNUHB-UHFFFAOYSA-N
XLogP2.08
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 71970777
N,N-bis(2-hydroxyethyl)dimethyloctanamide
CID 3023370
1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 107479514
1-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 107479522
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
CID 107479529
1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107479535
1-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 107479541
2-cyano-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107479545
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylcyclohexane-1-carboxamide
CID 107483138
N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107483433
N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide
CID 21100734
N-ethyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 24285056

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 61461703) is N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is CCCCN(CCO)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is NICOJKWNRUNUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-9-16(10-11-17)13(18)14(12-15)7-5-4-6-8-14/h17H,2-11H2,1H3.
What are the key properties of N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyano-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61461703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).