methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate

C20H17NO6 — CID 5262911

IUPACmethyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
SMILESCCOc1ccc2cc(C(=O)Nc3ccccc3C(=O)OC)c(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-3-26-13-9-8-12-10-15(20(24)27-17(12)11-13)18(22)21-16-7-5-4-6-14(16)19(23)25-2/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyMPAJEOWHFXAHBO-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.23
Rot. Bonds5

About methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate

methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate (PubChem CID 5262911) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
PubChem CID5262911
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Namemethyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
SMILESCCOc1ccc2cc(C(=O)Nc3ccccc3C(=O)OC)c(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-3-26-13-9-8-12-10-15(20(24)27-17(12)11-13)18(22)21-16-7-5-4-6-14(16)19(23)25-2/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyMPAJEOWHFXAHBO-UHFFFAOYSA-N
XLogP3.23
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.23
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

N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262644
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate (CID 5262911) is methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate is CCOc1ccc2cc(C(=O)Nc3ccccc3C(=O)OC)c(=O)oc2c1.
What is the InChIKey of methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The InChIKey is MPAJEOWHFXAHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-3-26-13-9-8-12-10-15(20(24)27-17(12)11-13)18(22)21-16-7-5-4-6-14(16)19(23)25-2/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate?
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate has a molecular weight of 367.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 5262911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).