N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide

C12H21NO2 — CID 110752448

IUPACN-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC1
InChIInChI=1S/C12H21NO2/c1-13(12(14)11-3-2-4-11)9-10-5-7-15-8-6-10/h10-11H,2-9H2,1H3
InChIKeyRFISBYOARQXVAY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide

N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide (PubChem CID 110752448) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide
PubChem CID110752448
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC1
InChIInChI=1S/C12H21NO2/c1-13(12(14)11-3-2-4-11)9-10-5-7-15-8-6-10/h10-11H,2-9H2,1H3
InChIKeyRFISBYOARQXVAY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide (CID 110752448) is N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide is CN(CC1CCOCC1)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide?
The InChIKey is RFISBYOARQXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(12(14)11-3-2-4-11)9-10-5-7-15-8-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide?
N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 110752448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).