2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide

C21H25NO5 — CID 2490779

IUPAC2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide
SMILESCC(=O)c1c(OCC(=O)N(C)C2CCCCC2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C21H25NO5/c1-13-11-19(25)27-21-16(13)9-10-17(20(21)14(2)23)26-12-18(24)22(3)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3
InChIKeyOJTGLORWUWLJHW-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.47
Rot. Bonds5

About 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide

2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide (PubChem CID 2490779) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide
PubChem CID2490779
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide
SMILESCC(=O)c1c(OCC(=O)N(C)C2CCCCC2)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C21H25NO5/c1-13-11-19(25)27-21-16(13)9-10-17(20(21)14(2)23)26-12-18(24)22(3)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3
InChIKeyOJTGLORWUWLJHW-UHFFFAOYSA-N
XLogP3.47
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide (CID 2490779) is 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide is CC(=O)c1c(OCC(=O)N(C)C2CCCCC2)ccc2c(C)cc(=O)oc12.
What is the InChIKey of 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide?
The InChIKey is OJTGLORWUWLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-13-11-19(25)27-21-16(13)9-10-17(20(21)14(2)23)26-12-18(24)22(3)15-7-5-4-6-8-15/h9-11,15H,4-8,12H2,1-3H3.
What are the key properties of 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide?
2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide has a molecular weight of 371.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 2490779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).