1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide

C14H22N2O2 — CID 115183403

IUPAC1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C14H22N2O2/c1-16(8-3-12-4-9-18-10-5-12)13(17)14(11-15)6-2-7-14/h12H,2-10H2,1H3
InChIKeyFCTNEAYRLGFSOR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.96
Rot. Bonds4

About 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115183403) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID115183403
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)C1(C#N)CCC1
InChIInChI=1S/C14H22N2O2/c1-16(8-3-12-4-9-18-10-5-12)13(17)14(11-15)6-2-7-14/h12H,2-10H2,1H3
InChIKeyFCTNEAYRLGFSOR-UHFFFAOYSA-N
XLogP1.96
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
CID 112698091
3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
CID 115185474
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide (CID 115183403) is 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide is CN(CCC1CCOCC1)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is FCTNEAYRLGFSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(8-3-12-4-9-18-10-5-12)13(17)14(11-15)6-2-7-14/h12H,2-10H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).