N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide

C24H25NO6 — CID 1192171

IUPACN-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H25NO6/c1-28-17-7-9-18(10-8-17)31-22-14-30-21-13-19(11-12-20(21)24(22)27)29-15-23(26)25-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,25,26)
InChIKeyASDPHIIVBLNONH-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.42
Rot. Bonds7

About N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide

N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 1192171) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
PubChem CID1192171
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC NameN-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H25NO6/c1-28-17-7-9-18(10-8-17)31-22-14-30-21-13-19(11-12-20(21)24(22)27)29-15-23(26)25-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,25,26)
InChIKeyASDPHIIVBLNONH-UHFFFAOYSA-N
XLogP4.42
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide (CID 1192171) is N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide is COc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is ASDPHIIVBLNONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-28-17-7-9-18(10-8-17)31-22-14-30-21-13-19(11-12-20(21)24(22)27)29-15-23(26)25-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,25,26).
What are the key properties of N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide?
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 423.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 1192171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).