1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

C25H25NO4 — CID 22511190

IUPAC1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3
InChIInChI=1S/C25H25NO4/c1-15-8-4-5-9-17(15)26-24(28)23-16(2)21-19(29-23)10-11-20-22(21)18(27)14-25(30-20)12-6-3-7-13-25/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,26,28)
InChIKeyVSMAVTXPCJXZQB-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.97
Rot. Bonds2

About 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide

1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (PubChem CID 22511190) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
PubChem CID22511190
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
SMILESCc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3
InChIInChI=1S/C25H25NO4/c1-15-8-4-5-9-17(15)26-24(28)23-16(2)21-19(29-23)10-11-20-22(21)18(27)14-25(30-20)12-6-3-7-13-25/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,26,28)
InChIKeyVSMAVTXPCJXZQB-UHFFFAOYSA-N
XLogP5.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide (CID 22511190) is 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is Cc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
The InChIKey is VSMAVTXPCJXZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-15-8-4-5-9-17(15)26-24(28)23-16(2)21-19(29-23)10-11-20-22(21)18(27)14-25(30-20)12-6-3-7-13-25/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,26,28).
What are the key properties of 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide?
1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 22511190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).