[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate

C19H18N2O6 — CID 30154625

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H18N2O6/c1-25-15-5-3-2-4-13(15)9-20-17(22)10-27-19(24)12-6-7-14-16(8-12)26-11-18(23)21-14/h2-8H,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQYUFJSJCWOJMEH-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.50
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate (PubChem CID 30154625) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
PubChem CID30154625
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H18N2O6/c1-25-15-5-3-2-4-13(15)9-20-17(22)10-27-19(24)12-6-7-14-16(8-12)26-11-18(23)21-14/h2-8H,9-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQYUFJSJCWOJMEH-UHFFFAOYSA-N
XLogP1.50
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate with MolForge

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30156719
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 71900585
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30158820
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509286
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2116021
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699663
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768097
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate (CID 30154625) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The InChIKey is QYUFJSJCWOJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-15-5-3-2-4-13(15)9-20-17(22)10-27-19(24)12-6-7-14-16(8-12)26-11-18(23)21-14/h2-8H,9-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 30154625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).