N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide

C26H23NO4 — CID 7714060

IUPACN-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
InChIInChI=1S/C26H23NO4/c1-16-8-7-9-17(2)25(16)27-23(28)15-30-20-12-13-21-22(14-20)31-18(3)24(26(21)29)19-10-5-4-6-11-19/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyDSKNFRARIFANDF-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.40
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide

N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 7714060) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID7714060
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
InChIInChI=1S/C26H23NO4/c1-16-8-7-9-17(2)25(16)27-23(28)15-30-20-12-13-21-22(14-20)31-18(3)24(26(21)29)19-10-5-4-6-11-19/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyDSKNFRARIFANDF-UHFFFAOYSA-N
XLogP5.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
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
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24581990
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
CID 2185121

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 7714060) is N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide is Cc1cccc(C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is DSKNFRARIFANDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-8-7-9-17(2)25(16)27-23(28)15-30-20-12-13-21-22(14-20)31-18(3)24(26(21)29)19-10-5-4-6-11-19/h4-14H,15H2,1-3H3,(H,27,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 413.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7714060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).