(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate

C20H17NO7 — CID 19186836

IUPAC(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)Oc1ccc2cc(C(N)=O)c(=O)oc2c1
InChIInChI=1S/C20H17NO7/c1-2-25-15-5-3-4-6-16(15)26-11-18(22)27-13-8-7-12-9-14(19(21)23)20(24)28-17(12)10-13/h3-10H,2,11H2,1H3,(H2,21,23)
InChIKeyZCUGGMVHWFFBEB-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.28
Rot. Bonds7

About (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate

(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate (PubChem CID 19186836) has the molecular formula C20H17NO7 and a molecular weight of 383.36 g/mol. Its IUPAC name is (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
PubChem CID19186836
Molecular FormulaC20H17NO7
Molecular Weight383.36 g/mol
Exact Mass383.10
IUPAC Name(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)Oc1ccc2cc(C(N)=O)c(=O)oc2c1
InChIInChI=1S/C20H17NO7/c1-2-25-15-5-3-4-6-16(15)26-11-18(22)27-13-8-7-12-9-14(19(21)23)20(24)28-17(12)10-13/h3-10H,2,11H2,1H3,(H2,21,23)
InChIKeyZCUGGMVHWFFBEB-UHFFFAOYSA-N
XLogP2.28
TPSA118.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoyl-2-oxochromen-7-yl) 2-(2-tert-butylphenoxy)acetate
CID 19186991
(3-carbamoyl-2-oxochromen-7-yl) 2-phenoxyacetate
CID 19186694
(3-carbamoyl-2-oxochromen-7-yl) 2-(2,6-dimethylphenoxy)acetate
CID 19187017
(3-carbamoyl-2-oxochromen-7-yl) 2-(3-bromophenoxy)acetate
CID 19187093
ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
CID 19180001
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187258
(3-carbamoyl-2-oxochromen-7-yl) 2-(4-nitrophenoxy)acetate
CID 19186849
ethyl 7-[2-(2-bromo-4-methylphenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179984
[3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187256
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(2-bromophenoxy)acetate
CID 19180582
ethyl 7-[2-(4-chlorophenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179575

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate (CID 19186836) is (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)Oc1ccc2cc(C(N)=O)c(=O)oc2c1.
What is the InChIKey of (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate?
The InChIKey is ZCUGGMVHWFFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO7/c1-2-25-15-5-3-4-6-16(15)26-11-18(22)27-13-8-7-12-9-14(19(21)23)20(24)28-17(12)10-13/h3-10H,2,11H2,1H3,(H2,21,23).
What are the key properties of (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate?
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate has a molecular weight of 383.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 19186836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).