N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide

C29H29NO6 — CID 2185121

IUPACN-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc3c(=O)c(-c4ccc(C(C)C)cc4)c(C)oc3c2)c1
InChIInChI=1S/C29H29NO6/c1-17(2)19-6-8-20(9-7-19)28-18(3)36-26-15-22(10-12-23(26)29(28)32)35-16-27(31)30-24-14-21(33-4)11-13-25(24)34-5/h6-15,17H,16H2,1-5H3,(H,30,31)
InChIKeyORIPZGCRUAFNES-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.93
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide

N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide (PubChem CID 2185121) has the molecular formula C29H29NO6 and a molecular weight of 487.55 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
PubChem CID2185121
Molecular FormulaC29H29NO6
Molecular Weight487.55 g/mol
Exact Mass487.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc3c(=O)c(-c4ccc(C(C)C)cc4)c(C)oc3c2)c1
InChIInChI=1S/C29H29NO6/c1-17(2)19-6-8-20(9-7-19)28-18(3)36-26-15-22(10-12-23(26)29(28)32)35-16-27(31)30-24-14-21(33-4)11-13-25(24)34-5/h6-15,17H,16H2,1-5H3,(H,30,31)
InChIKeyORIPZGCRUAFNES-UHFFFAOYSA-N
XLogP5.93
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide
CID 2345718
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 41118398
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide (CID 2185121) is N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide is COc1ccc(OC)c(NC(=O)COc2ccc3c(=O)c(-c4ccc(C(C)C)cc4)c(C)oc3c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide?
The InChIKey is ORIPZGCRUAFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO6/c1-17(2)19-6-8-20(9-7-19)28-18(3)36-26-15-22(10-12-23(26)29(28)32)35-16-27(31)30-24-14-21(33-4)11-13-25(24)34-5/h6-15,17H,16H2,1-5H3,(H,30,31).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide?
N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide has a molecular weight of 487.55 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 2185121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).