ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate

C20H20N2O5 — CID 23410098

IUPACethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C20H20N2O5/c1-3-26-20(25)14-6-4-5-7-15(14)21-18(23)11-22-16-10-13(2)8-9-17(16)27-12-19(22)24/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyDHEDMCABCZSKEJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.54
Rot. Bonds5

About ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate

ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (PubChem CID 23410098) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
PubChem CID23410098
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C20H20N2O5/c1-3-26-20(25)14-6-4-5-7-15(14)21-18(23)11-22-16-10-13(2)8-9-17(16)27-12-19(22)24/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyDHEDMCABCZSKEJ-UHFFFAOYSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 41316268
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410059
ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 110686826
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
ethyl 2-[[2-(1,1,4-trioxo-2,3-dihydro-1lambda6,5-benzothiazepin-5-yl)acetyl]amino]benzoate
CID 3237899
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
ethyl 2-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 125145140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (CID 23410098) is ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1C(=O)COc2ccc(C)cc21.
What is the InChIKey of ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The InChIKey is DHEDMCABCZSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-20(25)14-6-4-5-7-15(14)21-18(23)11-22-16-10-13(2)8-9-17(16)27-12-19(22)24/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 23410098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).