2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C19H20N2O6 — CID 16584915

IUPAC2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CC2Nc3ccccc3OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H20N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-17(22)10-13-19(23)27-14-7-5-4-6-12(14)21-13/h4-9,13,21H,10H2,1-3H3,(H,20,22)
InChIKeyJCKNLZRHCWEJIB-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 16584915) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID16584915
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CC2Nc3ccccc3OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H20N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-17(22)10-13-19(23)27-14-7-5-4-6-12(14)21-13/h4-9,13,21H,10H2,1-3H3,(H,20,22)
InChIKeyJCKNLZRHCWEJIB-UHFFFAOYSA-N
XLogP2.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95073231
N-(2,5-dimethylphenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 41452841
N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 16584913
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 51837621
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222
2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 41087886
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 16584915) is 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CC2Nc3ccccc3OC2=O)cc(OC)c1OC.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JCKNLZRHCWEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-24-15-8-11(9-16(25-2)18(15)26-3)20-17(22)10-13-19(23)27-14-7-5-4-6-12(14)21-13/h4-9,13,21H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 16584915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).