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

C24H25NO5 — CID 1192174

IUPACN-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCc1cccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1
InChIInChI=1S/C24H25NO5/c1-16-6-5-9-19(12-16)30-22-14-29-21-13-18(10-11-20(21)24(22)27)28-15-23(26)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,26)
InChIKeyAZHRFFLRNYBICH-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.72
Rot. Bonds6

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

N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 1192174) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide
PubChem CID1192174
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC NameN-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCc1cccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1
InChIInChI=1S/C24H25NO5/c1-16-6-5-9-19(12-16)30-22-14-29-21-13-18(10-11-20(21)24(22)27)28-15-23(26)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,26)
InChIKeyAZHRFFLRNYBICH-UHFFFAOYSA-N
XLogP4.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.72
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-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide (CID 1192174) is N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide is Cc1cccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1.
What is the InChIKey of N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is AZHRFFLRNYBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16-6-5-9-19(12-16)30-22-14-29-21-13-18(10-11-20(21)24(22)27)28-15-23(26)25-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,25,26).
What are the key properties of N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide?
N-cyclohexyl-2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 407.47 g/mol, XLogP of 4.72, 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-methylphenoxy)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 1192174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).