N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide

C13H20N2O — CID 115270234

IUPACN-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCC(C#N)CC1
InChIInChI=1S/C13H20N2O/c1-15(13(16)11-3-2-4-11)12-7-5-10(9-14)6-8-12/h10-12H,2-8H2,1H3
InChIKeyCWWCQWMDOYQKTL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds2

About N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide

N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide (PubChem CID 115270234) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
PubChem CID115270234
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCC(C#N)CC1
InChIInChI=1S/C13H20N2O/c1-15(13(16)11-3-2-4-11)12-7-5-10(9-14)6-8-12/h10-12H,2-8H2,1H3
InChIKeyCWWCQWMDOYQKTL-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanocyclohexyl)-N,1-dimethylpiperidine-3-carboxamide
CID 116817089
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
1-(4-cyanocyclohexyl)-3-cyclohexyl-1-methylurea
CID 115270228
N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
CID 116817101
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
CID 115151288
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
CID 54105856

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide (CID 115270234) is N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCC(C#N)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide?
The InChIKey is CWWCQWMDOYQKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(13(16)11-3-2-4-11)12-7-5-10(9-14)6-8-12/h10-12H,2-8H2,1H3.
What are the key properties of N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide?
N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 115270234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).