(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide

C11H13NO3 — CID 13135700

IUPAC(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2O[C@H]2C)cc1
InChIInChI=1S/C11H13NO3/c1-7-10(15-7)11(13)12-8-3-5-9(14-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1
InChIKeySZEDWFPGUQQUHV-OIBJUYFYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds3

About (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide

(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide (PubChem CID 13135700) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
PubChem CID13135700
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2O[C@H]2C)cc1
InChIInChI=1S/C11H13NO3/c1-7-10(15-7)11(13)12-8-3-5-9(14-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1
InChIKeySZEDWFPGUQQUHV-OIBJUYFYSA-N
XLogP1.42
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2902385
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(4-methoxyphenyl) (2S,3R)-3-methyloxirane-2-carboxylate
CID 91163520
(1S,2R,3R,4S)-3-[(4-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98123638
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134138570

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide (CID 13135700) is (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide is COc1ccc(NC(=O)[C@@H]2O[C@H]2C)cc1.
What is the InChIKey of (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide?
The InChIKey is SZEDWFPGUQQUHV-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-10(15-7)11(13)12-8-3-5-9(14-2)6-4-8/h3-7,10H,1-2H3,(H,12,13)/t7-,10+/m0/s1.
What are the key properties of (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide?
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 13135700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).