(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide

C13H23NO2 — CID 10489394

IUPAC(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyKRNOOYWSQXTDOV-NWDGAFQWSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds4

About (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide

(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide (PubChem CID 10489394) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide
PubChem CID10489394
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyKRNOOYWSQXTDOV-NWDGAFQWSA-N
XLogP2.20
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide (CID 10489394) is (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide is CCN(CC)C(=O)[C@@H]1O[C@H]1C1CCCCC1.
What is the InChIKey of (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide?
The InChIKey is KRNOOYWSQXTDOV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide?
(2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyclohexyl-N,N-diethyloxirane-2-carboxamide is sourced from PubChem (CID 10489394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).