(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide

C15H21NO2 — CID 101356265

IUPAC(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@@]1(CC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-15(12-10-8-7-9-11-12)13(18-15)14(17)16(5-2)6-3/h7-11,13H,4-6H2,1-3H3/t13-,15-/m0/s1
InChIKeyCVVGJQDNUWCOQT-ZFWWWQNUSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds5

About (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide

(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide (PubChem CID 101356265) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
PubChem CID101356265
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1O[C@@]1(CC)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-15(12-10-8-7-9-11-12)13(18-15)14(17)16(5-2)6-3/h7-11,13H,4-6H2,1-3H3/t13-,15-/m0/s1
InChIKeyCVVGJQDNUWCOQT-ZFWWWQNUSA-N
XLogP2.56
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
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)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide (CID 101356265) is (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide is CCN(CC)C(=O)[C@@H]1O[C@@]1(CC)c1ccccc1.
What is the InChIKey of (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide?
The InChIKey is CVVGJQDNUWCOQT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-15(12-10-8-7-9-11-12)13(18-15)14(17)16(5-2)6-3/h7-11,13H,4-6H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide?
(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 101356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).