2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one

C21H23NO4 — CID 12024773

IUPAC2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
SMILESCOc1ccc(-c2c(NC3CCCCC3)oc3cc(C)oc(=O)c23)cc1
InChIInChI=1S/C21H23NO4/c1-13-12-17-19(21(23)25-13)18(14-8-10-16(24-2)11-9-14)20(26-17)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3
InChIKeyGZNLFASPCJDKFE-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.11
Rot. Bonds4

About 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one

2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one (PubChem CID 12024773) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
PubChem CID12024773
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one
SMILESCOc1ccc(-c2c(NC3CCCCC3)oc3cc(C)oc(=O)c23)cc1
InChIInChI=1S/C21H23NO4/c1-13-12-17-19(21(23)25-13)18(14-8-10-16(24-2)11-9-14)20(26-17)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3
InChIKeyGZNLFASPCJDKFE-UHFFFAOYSA-N
XLogP5.11
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one (CID 12024773) is 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one is COc1ccc(-c2c(NC3CCCCC3)oc3cc(C)oc(=O)c23)cc1.
What is the InChIKey of 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
The InChIKey is GZNLFASPCJDKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-12-17-19(21(23)25-13)18(14-8-10-16(24-2)11-9-14)20(26-17)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one?
2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one has a molecular weight of 353.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-(4-methoxyphenyl)-6-methylfuro[3,2-c]pyran-4-one is sourced from PubChem (CID 12024773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).