2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

C26H23NO4 — CID 7641806

IUPAC2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)c(C)c1
InChIInChI=1S/C26H23NO4/c1-16-11-17(2)25(18(3)12-16)27-24(28)15-30-20-9-10-21-23(13-20)31-14-22(26(21)29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyOODNQRYHZWZYIY-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7641806) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7641806
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)c(C)c1
InChIInChI=1S/C26H23NO4/c1-16-11-17(2)25(18(3)12-16)27-24(28)15-30-20-9-10-21-23(13-20)31-14-22(26(21)29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyOODNQRYHZWZYIY-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

N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
CID 23939473
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 40816642
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (CID 7641806) is 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)c(C)c1.
What is the InChIKey of 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OODNQRYHZWZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-11-17(2)25(18(3)12-16)27-24(28)15-30-20-9-10-21-23(13-20)31-14-22(26(21)29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide 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 2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).