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

C20H20N2O5 — CID 20881689

IUPACethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C20H20N2O5/c1-3-26-20(25)13-5-4-6-14(10-13)21-18(23)11-17-19(24)22-15-9-12(2)7-8-16(15)27-17/h4-10,17H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUGWPMAXCOOYJOX-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.90
Rot. Bonds5

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

ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate (PubChem CID 20881689) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate
PubChem CID20881689
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C20H20N2O5/c1-3-26-20(25)13-5-4-6-14(10-13)21-18(23)11-17-19(24)22-15-9-12(2)7-8-16(15)27-17/h4-10,17H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUGWPMAXCOOYJOX-UHFFFAOYSA-N
XLogP2.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 51427064
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
ethyl 2-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 75769648
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 75769095
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40505300
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 75769965
ethyl 3-[[2-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate
CID 40918823

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate (CID 20881689) is ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1.
What is the InChIKey of ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate?
The InChIKey is UGWPMAXCOOYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-20(25)13-5-4-6-14(10-13)21-18(23)11-17-19(24)22-15-9-12(2)7-8-16(15)27-17/h4-10,17H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate?
ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 20881689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).