N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide

C24H19NO5 — CID 16504572

IUPACN-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Oc2ccc3ccc(=O)oc3c2)c2ccccc2)c1
InChIInChI=1S/C24H19NO5/c1-28-19-9-5-8-18(14-19)25-24(27)23(17-6-3-2-4-7-17)29-20-12-10-16-11-13-22(26)30-21(16)15-20/h2-15,23H,1H3,(H,25,27)
InChIKeyBYZINPACZVNUNR-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.56
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide

N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide (PubChem CID 16504572) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
PubChem CID16504572
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC NameN-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(Oc2ccc3ccc(=O)oc3c2)c2ccccc2)c1
InChIInChI=1S/C24H19NO5/c1-28-19-9-5-8-18(14-19)25-24(27)23(17-6-3-2-4-7-17)29-20-12-10-16-11-13-22(26)30-21(16)15-20/h2-15,23H,1H3,(H,25,27)
InChIKeyBYZINPACZVNUNR-UHFFFAOYSA-N
XLogP4.56
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide
CID 7233639
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40814254
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
(2-oxochromen-7-yl) 3-methoxybenzoate
CID 906993
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506248

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide (CID 16504572) is N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide is COc1cccc(NC(=O)C(Oc2ccc3ccc(=O)oc3c2)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
The InChIKey is BYZINPACZVNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-19-9-5-8-18(14-19)25-24(27)23(17-6-3-2-4-7-17)29-20-12-10-16-11-13-22(26)30-21(16)15-20/h2-15,23H,1H3,(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide?
N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide has a molecular weight of 401.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-oxochromen-7-yl)oxy-2-phenylacetamide is sourced from PubChem (CID 16504572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).