[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate

C19H15NO6 — CID 7785630

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C19H15NO6/c1-24-14-7-4-6-13(10-14)20-17(21)11-25-18(22)15-9-12-5-2-3-8-16(12)26-19(15)23/h2-10H,11H2,1H3,(H,20,21)
InChIKeyXEOPVHJJZIVBTJ-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.60
Rot. Bonds5

About [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate

[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate (PubChem CID 7785630) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
PubChem CID7785630
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C19H15NO6/c1-24-14-7-4-6-13(10-14)20-17(21)11-25-18(22)15-9-12-5-2-3-8-16(12)26-19(15)23/h2-10H,11H2,1H3,(H,20,21)
InChIKeyXEOPVHJJZIVBTJ-UHFFFAOYSA-N
XLogP2.60
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
CID 7785472
[2-(4-bromoanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3978128
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2416616
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2366109
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785481
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290384
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7752429

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate (CID 7785630) is [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate is COc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The InChIKey is XEOPVHJJZIVBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-24-14-7-4-6-13(10-14)20-17(21)11-25-18(22)15-9-12-5-2-3-8-16(12)26-19(15)23/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 7785630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).