N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C25H23NO5 — CID 1305633

IUPACN-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12
InChIInChI=1S/C25H23NO5/c1-14-6-5-7-15(2)23(14)26-22(27)13-30-21-11-10-19-18-9-8-17(29-4)12-20(18)25(28)31-24(19)16(21)3/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyCKRQWOPVJPANGZ-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.90
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 1305633) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID1305633
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12
InChIInChI=1S/C25H23NO5/c1-14-6-5-7-15(2)23(14)26-22(27)13-30-21-11-10-19-18-9-8-17(29-4)12-20(18)25(28)31-24(19)16(21)3/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyCKRQWOPVJPANGZ-UHFFFAOYSA-N
XLogP4.90
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
CID 1322249
8-methoxy-4-methyl-3-phenacyloxybenzo[c]chromen-6-one
CID 2185542
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 1079178
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 704611
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetic acid
CID 1188203
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
CID 1299986
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 2389301

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 1305633) is N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is CKRQWOPVJPANGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-14-6-5-7-15(2)23(14)26-22(27)13-30-21-11-10-19-18-9-8-17(29-4)12-20(18)25(28)31-24(19)16(21)3/h5-12H,13H2,1-4H3,(H,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 417.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 1305633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).