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

C13H17NO2 — CID 10775247

IUPAC(2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3/t11-,12+/m1/s1
InChIKeySKCZEOMMISKFLR-NEPJUHHUSA-N
MW219.28 g/mol
LogP1.99
Rot. Bonds4

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

(2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide (PubChem CID 10775247) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide
PubChem CID10775247
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3/t11-,12+/m1/s1
InChIKeySKCZEOMMISKFLR-NEPJUHHUSA-N
XLogP1.99
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.99
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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Related Compounds

3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 3452814
N-[(2S)-1-(4-acetamidobutylamino)-4-methyl-1-oxopentan-2-yl]-3-phenyloxirane-2-carboxamide
CID 89737541
3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-3-phenyloxirane-2-carboxamide
CID 89737538
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide (CID 10775247) is (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide is CCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide?
The InChIKey is SKCZEOMMISKFLR-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14(4-2)13(15)12-11(16-12)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide?
(2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-diethyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 10775247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).