N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide

C13H21NO2 — CID 110873079

IUPACN-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C13H21NO2/c15-13(10-2-1-3-10)14(11-4-5-11)12-6-8-16-9-7-12/h10-12H,1-9H2
InChIKeyQWHGGDNRFDKUHY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds3

About N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide

N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide (PubChem CID 110873079) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide
PubChem CID110873079
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C13H21NO2/c15-13(10-2-1-3-10)14(11-4-5-11)12-6-8-16-9-7-12/h10-12H,1-9H2
InChIKeyQWHGGDNRFDKUHY-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide (CID 110873079) is N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide is O=C(C1CCC1)N(C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide?
The InChIKey is QWHGGDNRFDKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(10-2-1-3-10)14(11-4-5-11)12-6-8-16-9-7-12/h10-12H,1-9H2.
What are the key properties of N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide?
N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 110873079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).