(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate

C22H21NO6 — CID 16506936

IUPAC(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1
InChIInChI=1S/C22H21NO6/c1-3-27-18-7-4-15(5-8-18)10-21(25)28-13-16-11-22(26)29-20-12-17(23-14(2)24)6-9-19(16)20/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24)
InChIKeyQICAPFJNVBZVLN-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.44
Rot. Bonds7

About (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate

(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate (PubChem CID 16506936) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate.

Molecular Properties

Compound Name(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
PubChem CID16506936
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1
InChIInChI=1S/C22H21NO6/c1-3-27-18-7-4-15(5-8-18)10-21(25)28-13-16-11-22(26)29-20-12-17(23-14(2)24)6-9-19(16)20/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24)
InChIKeyQICAPFJNVBZVLN-UHFFFAOYSA-N
XLogP3.44
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.44
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

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8611432
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 7904603
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-cyanophenoxy)acetate
CID 2097462
N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
CID 11738812
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 18076997
(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55643841
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
ethyl N-[4-[(4-ethoxyphenyl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate
CID 26990190
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
(7-acetamido-2-oxochromen-4-yl)methyl 3,4-difluorobenzoate
CID 46816359
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057

Frequently Asked Questions

What is the IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate?
The IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate (CID 16506936) is (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate.
What is the SMILES notation for (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate?
The canonical SMILES for (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1.
What is the InChIKey of (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate?
The InChIKey is QICAPFJNVBZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-3-27-18-7-4-15(5-8-18)10-21(25)28-13-16-11-22(26)29-20-12-17(23-14(2)24)6-9-19(16)20/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24).
What are the key properties of (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate?
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate has a molecular weight of 395.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate is sourced from PubChem (CID 16506936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).