(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide

C14H25NO2 — CID 126454699

IUPAC(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCOC1)C1CCC1
InChIInChI=1S/C14H25NO2/c1-14(2,12-6-3-7-12)10-15-13(16)11-5-4-8-17-9-11/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyWDMINKZMUBNRSI-NSHDSACASA-N
MW239.36 g/mol
LogP2.36
Rot. Bonds4

About (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide

(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide (PubChem CID 126454699) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide
PubChem CID126454699
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCOC1)C1CCC1
InChIInChI=1S/C14H25NO2/c1-14(2,12-6-3-7-12)10-15-13(16)11-5-4-8-17-9-11/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyWDMINKZMUBNRSI-NSHDSACASA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide?
The IUPAC name of (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide (CID 126454699) is (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide?
The canonical SMILES for (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide is CC(C)(CNC(=O)[C@H]1CCCOC1)C1CCC1.
What is the InChIKey of (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide?
The InChIKey is WDMINKZMUBNRSI-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,12-6-3-7-12)10-15-13(16)11-5-4-8-17-9-11/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide?
(3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-cyclobutyl-2-methylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 126454699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).