(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide

C22H19NO2 — CID 102272883

IUPAC(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide
SMILESCc1ccccc1[C@H]1O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-16-10-8-9-15-19(16)20-21(25-20)22(24)23(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3/t20-,21+/m1/s1
InChIKeyBEJGZLYLTIIGIN-RTWAWAEBSA-N
MW329.40 g/mol
LogP4.80
Rot. Bonds4

About (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide

(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide (PubChem CID 102272883) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide
PubChem CID102272883
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide
SMILESCc1ccccc1[C@H]1O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-16-10-8-9-15-19(16)20-21(25-20)22(24)23(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3/t20-,21+/m1/s1
InChIKeyBEJGZLYLTIIGIN-RTWAWAEBSA-N
XLogP4.80
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.80
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

(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
CID 55266155
methyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 14295972
ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236
(2R,3S)-3-(3-bromophenyl)-N,N-diphenyloxirane-2-carboxamide
CID 135054503
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
CID 56601477
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
CID 59642236
(2-methylphenyl)-[(2S,3S)-3-phenyloxiran-2-yl]methanone
CID 94036635
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
(2S,3S)-3-(2-bromophenyl)oxirane-2-carboxylic acid
CID 95212315
1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide (CID 102272883) is (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide is Cc1ccccc1[C@H]1O[C@@H]1C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide?
The InChIKey is BEJGZLYLTIIGIN-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H19NO2/c1-16-10-8-9-15-19(16)20-21(25-20)22(24)23(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20-21H,1H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide?
(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide is sourced from PubChem (CID 102272883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).