methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate

C26H21NO6 — CID 26216445

IUPACmethyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C26H21NO6/c1-16-24(17-6-4-3-5-7-17)25(29)21-13-12-20(14-22(21)33-16)32-15-23(28)27-19-10-8-18(9-11-19)26(30)31-2/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyPMGXMVBAQCJEMN-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.57
Rot. Bonds6

About methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate

methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate (PubChem CID 26216445) has the molecular formula C26H21NO6 and a molecular weight of 443.46 g/mol. Its IUPAC name is methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
PubChem CID26216445
Molecular FormulaC26H21NO6
Molecular Weight443.46 g/mol
Exact Mass443.14
IUPAC Namemethyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C26H21NO6/c1-16-24(17-6-4-3-5-7-17)25(29)21-13-12-20(14-22(21)33-16)32-15-23(28)27-19-10-8-18(9-11-19)26(30)31-2/h3-14H,15H2,1-2H3,(H,27,28)
InChIKeyPMGXMVBAQCJEMN-UHFFFAOYSA-N
XLogP4.57
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate with MolForge

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Related Compounds

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092
(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 26216457
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24581990
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587588
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
CID 2185121
(2-methyl-4-oxo-3-phenylchromen-7-yl) N-(3,4-dichlorophenyl)carbamate
CID 3970988

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate (CID 26216445) is methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1.
What is the InChIKey of methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate?
The InChIKey is PMGXMVBAQCJEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO6/c1-16-24(17-6-4-3-5-7-17)25(29)21-13-12-20(14-22(21)33-16)32-15-23(28)27-19-10-8-18(9-11-19)26(30)31-2/h3-14H,15H2,1-2H3,(H,27,28).
What are the key properties of methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate?
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate has a molecular weight of 443.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 26216445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).