1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

C13H20N2O2 — CID 80598505

IUPAC1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)C2CCCC2)CCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15(8-9-16)11-4-1-2-5-11/h11,16H,1-9H2
InChIKeyKZILZUHXLIHQNU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds4

About 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 80598505) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID80598505
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(CCO)C2CCCC2)CCC1
InChIInChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15(8-9-16)11-4-1-2-5-11/h11,16H,1-9H2
InChIKeyKZILZUHXLIHQNU-UHFFFAOYSA-N
XLogP1.44
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 80599072
1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80587914
1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096453
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102866019
1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 115776345
1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441773
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
N-cyclopentyl-N-(2-hydroxyethyl)-2-methylpiperidine-2-carboxamide
CID 113430794
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 83071967

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 80598505) is 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)N(CCO)C2CCCC2)CCC1.
What is the InChIKey of 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is KZILZUHXLIHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10-13(6-3-7-13)12(17)15(8-9-16)11-4-1-2-5-11/h11,16H,1-9H2.
What are the key properties of 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80598505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).