(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide

C14H19NO3 — CID 56601477

IUPAC(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-12(18-13)10-8-6-7-9-11(10)17-3/h6-9,12-13H,4-5H2,1-3H3/t12-,13+/m1/s1
InChIKeyNGINYNBXASGXEO-OLZOCXBDSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds5

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

(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide (PubChem CID 56601477) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
PubChem CID56601477
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-12(18-13)10-8-6-7-9-11(10)17-3/h6-9,12-13H,4-5H2,1-3H3/t12-,13+/m1/s1
InChIKeyNGINYNBXASGXEO-OLZOCXBDSA-N
XLogP2.00
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
N,N-diethyl-4-(2-methoxyphenyl)-1-(propan-2-ylcarbamothioyl)pyrrolidine-3-carboxamide
CID 42829705
3-(2,3-dimethoxyphenyl)oxirane-2-carboxylic acid
CID 4076414
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
methyl 3-(2-undecoxyphenyl)oxirane-2-carboxylate
CID 139612521
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide
CID 78206341
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
(2R,3R)-3-(diethylamino)-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 101230152
2-(diethylamino)-3-(2-methoxyphenyl)cyclopropan-1-one
CID 155346145

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide?
The IUPAC name of (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide (CID 56601477) is (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide is CCN(CC)C(=O)[C@H]1O[C@@H]1c1ccccc1OC.
What is the InChIKey of (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide?
The InChIKey is NGINYNBXASGXEO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-12(18-13)10-8-6-7-9-11(10)17-3/h6-9,12-13H,4-5H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide?
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide is sourced from PubChem (CID 56601477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).