4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide

C13H20N2O2 — CID 55126193

IUPAC4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
SMILESCN(CC1CCC1)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-15(9-11-3-2-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-9H2,1H3
InChIKeyJOVCCLKPFYDCOP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.57
Rot. Bonds3

About 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide

4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide (PubChem CID 55126193) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
PubChem CID55126193
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
SMILESCN(CC1CCC1)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H20N2O2/c1-15(9-11-3-2-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-9H2,1H3
InChIKeyJOVCCLKPFYDCOP-UHFFFAOYSA-N
XLogP1.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
CID 79314603
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183403
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
N-methyl-1-(methylaminomethyl)-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183756
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1-cyano-N-(cyclopropylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 60783158
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999
N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185404
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185155

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide (CID 55126193) is 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide is CN(CC1CCC1)C(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide?
The InChIKey is JOVCCLKPFYDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(9-11-3-2-4-11)12(16)13(10-14)5-7-17-8-6-13/h11H,2-9H2,1H3.
What are the key properties of 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide?
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 55126193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).