N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide

C11H13NO3 — CID 87336938

IUPACN-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CO2)cc1
InChIInChI=1S/C11H13NO3/c1-11(7-15-11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyUMWIDMAMUNDCDE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.42
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide

N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide (PubChem CID 87336938) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
PubChem CID87336938
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CO2)cc1
InChIInChI=1S/C11H13NO3/c1-11(7-15-11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyUMWIDMAMUNDCDE-UHFFFAOYSA-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)-2,4-dimethylmorpholine-2-carboxamide
CID 110268121
(2R)-N-(4-methoxyphenyl)-2,4-dimethylmorpholine-2-carboxamide
CID 95839227
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928915
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4906092

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide (CID 87336938) is N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide is COc1ccc(NC(=O)C2(C)CO2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide?
The InChIKey is UMWIDMAMUNDCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(7-15-11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide?
N-(4-methoxyphenyl)-2-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 N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide is sourced from PubChem (CID 87336938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).