N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide

C13H22N2O — CID 80502268

IUPACN-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCCCN(CC)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H22N2O/c1-4-6-7-15(5-2)12(16)13(10-14)8-11(3)9-13/h11H,4-9H2,1-3H3
InChIKeyMZIRQJLESTUQCN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.57
Rot. Bonds5

About N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide

N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide (PubChem CID 80502268) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
PubChem CID80502268
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
SMILESCCCCN(CC)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H22N2O/c1-4-6-7-15(5-2)12(16)13(10-14)8-11(3)9-13/h11H,4-9H2,1-3H3
InChIKeyMZIRQJLESTUQCN-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501564
N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501320
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102978850
N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide
CID 80598509
1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467755
1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 80501552
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
1-cyano-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylcyclobutane-1-carboxamide
CID 80599578

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide (CID 80502268) is N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide is CCCCN(CC)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
The InChIKey is MZIRQJLESTUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-7-15(5-2)12(16)13(10-14)8-11(3)9-13/h11H,4-9H2,1-3H3.
What are the key properties of N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide?
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80502268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).