[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H17NO6 — CID 2365487

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO6/c1-25-16-8-4-2-6-13(16)11-21-19(23)12-26-20(24)18-10-15(22)14-7-3-5-9-17(14)27-18/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHRRGZMCGVYFKBV-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.27
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2365487) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2365487
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO6/c1-25-16-8-4-2-6-13(16)11-21-19(23)12-26-20(24)18-10-15(22)14-7-3-5-9-17(14)27-18/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHRRGZMCGVYFKBV-UHFFFAOYSA-N
XLogP2.27
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2365487) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is HRRGZMCGVYFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-25-16-8-4-2-6-13(16)11-21-19(23)12-26-20(24)18-10-15(22)14-7-3-5-9-17(14)27-18/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2365487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).