[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate

C20H21NO5 — CID 71820800

IUPAC[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C20H21NO5/c1-14-7-8-18-16(11-14)21(9-10-25-18)19(22)13-26-20(23)12-15-5-3-4-6-17(15)24-2/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyIMAKWLUFCQDUJG-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.51
Rot. Bonds5

About [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate

[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 71820800) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID71820800
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C20H21NO5/c1-14-7-8-18-16(11-14)21(9-10-25-18)19(22)13-26-20(23)12-15-5-3-4-6-17(15)24-2/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyIMAKWLUFCQDUJG-UHFFFAOYSA-N
XLogP2.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate 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

1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methylphenoxy)ethanone
CID 110714286
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-methylbenzoate
CID 46860548
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-iodobenzoate
CID 71823694
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
2-methoxy-1-[18-(2-methoxyacetyl)-8-methyl-2,5,15-trioxa-12,18-diazatricyclo[17.4.0.06,11]tricosa-1(23),6(11),7,9,19,21-hexaen-12-yl]ethanone
CID 59630550
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 71820800) is [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OCC(=O)N1CCOc2ccc(C)cc21.
What is the InChIKey of [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is IMAKWLUFCQDUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14-7-8-18-16(11-14)21(9-10-25-18)19(22)13-26-20(23)12-15-5-3-4-6-17(15)24-2/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 355.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 71820800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).