(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide

C18H17NO2 — CID 162936925

IUPAC(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide
SMILESCN(C=Cc1ccccc1)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/t16-,17+/m1/s1
InChIKeySZEAIHVOVOPANP-SJORKVTESA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

About (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide

(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide (PubChem CID 162936925) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide
PubChem CID162936925
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide
SMILESCN(C=Cc1ccccc1)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/t16-,17+/m1/s1
InChIKeySZEAIHVOVOPANP-SJORKVTESA-N
XLogP3.26
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
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

4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
2-(Dimethylamino)-1-phenylethyl 3-phenylpropanoate
CID 3051497
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
(2R,3S)-N-Methyl-3-phenyl-N-[(Z)-2-phenylvinyl]-2-oxiranecarboxamide
CID 6442212
(2S,3R)-N-Methyl-3-phenyl-N-((1Z)-2-phenylethenyl)-2-oxiranecarboxamide
CID 10492939
(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
CID 162891560
(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
CID 10979333
(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288126
N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288125
(+)-N-methyl-N-[(z)-styryl]-3-phenyloxirane-2-carboxamide
CID 71550923

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide?
The IUPAC name of (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide (CID 162936925) is (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide is CN(C=Cc1ccccc1)C(=O)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide?
The InChIKey is SZEAIHVOVOPANP-SJORKVTESA-N. The full InChI is InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide?
(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide is sourced from PubChem (CID 162936925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).