(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione

C20H19NO5 — CID 40640305

IUPAC(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione
SMILESCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(OC)c2)C1=O
InChIInChI=1S/C20H19NO5/c1-3-17-20(24)21(19(23)15-9-4-5-10-18(15)26-17)12-16(22)13-7-6-8-14(11-13)25-2/h4-11,17H,3,12H2,1-2H3/t17-/m1/s1
InChIKeySSNPGPMHWXVOJA-QGZVFWFLSA-N
MW353.37 g/mol
LogP2.72
Rot. Bonds5

About (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione

(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione (PubChem CID 40640305) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione
PubChem CID40640305
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione
SMILESCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(OC)c2)C1=O
InChIInChI=1S/C20H19NO5/c1-3-17-20(24)21(19(23)15-9-4-5-10-18(15)26-17)12-16(22)13-7-6-8-14(11-13)25-2/h4-11,17H,3,12H2,1-2H3/t17-/m1/s1
InChIKeySSNPGPMHWXVOJA-QGZVFWFLSA-N
XLogP2.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-ethyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione
CID 40640287
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683
(2S)-4-[2-(3-methoxyphenyl)-2-oxoethyl]-2,6-dimethyl-1,4-benzoxazin-3-one
CID 51686538
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007
(2R)-4-[2-(4-ethoxy-3-fluorophenyl)-2-oxoethyl]-2-methyl-1,4-benzoxazepine-3,5-dione
CID 40634207
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
[2-(3-methoxyphenyl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 51919964
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione?
The IUPAC name of (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione (CID 40640305) is (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione.
What is the SMILES notation for (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione?
The canonical SMILES for (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione is CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(OC)c2)C1=O.
What is the InChIKey of (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione?
The InChIKey is SSNPGPMHWXVOJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-17-20(24)21(19(23)15-9-4-5-10-18(15)26-17)12-16(22)13-7-6-8-14(11-13)25-2/h4-11,17H,3,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione?
(2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione has a molecular weight of 353.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione is sourced from PubChem (CID 40640305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).