N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide

C25H27NO5 — CID 1192173

IUPACN-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCc1cc(C)cc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1
InChIInChI=1S/C25H27NO5/c1-16-10-17(2)12-20(11-16)31-23-14-30-22-13-19(8-9-21(22)25(23)28)29-15-24(27)26-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,26,27)
InChIKeyNQGQUFMZGGVXDU-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.03
Rot. Bonds6

About N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide

N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 1192173) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide
PubChem CID1192173
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC NameN-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCc1cc(C)cc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1
InChIInChI=1S/C25H27NO5/c1-16-10-17(2)12-20(11-16)31-23-14-30-22-13-19(8-9-21(22)25(23)28)29-15-24(27)26-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,26,27)
InChIKeyNQGQUFMZGGVXDU-UHFFFAOYSA-N
XLogP5.03
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide (CID 1192173) is N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide is Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1.
What is the InChIKey of N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is NQGQUFMZGGVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-16-10-17(2)12-20(11-16)31-23-14-30-22-13-19(8-9-21(22)25(23)28)29-15-24(27)26-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,26,27).
What are the key properties of N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 421.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 1192173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).