N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide

C25H26N2O5 — CID 59352661

IUPACN-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C(=O)NC3CCCCC3)cccc21
InChIInChI=1S/C25H26N2O5/c1-27-18-9-5-8-16(23(28)26-15-6-3-2-4-7-15)22(18)25(24(27)29)14-32-19-13-21-20(12-17(19)25)30-10-11-31-21/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,26,28)
InChIKeyMHQDLLRGDFFEJX-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.18
Rot. Bonds2

About N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide

N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide (PubChem CID 59352661) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide
PubChem CID59352661
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C(=O)NC3CCCCC3)cccc21
InChIInChI=1S/C25H26N2O5/c1-27-18-9-5-8-16(23(28)26-15-6-3-2-4-7-15)22(18)25(24(27)29)14-32-19-13-21-20(12-17(19)25)30-10-11-31-21/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,26,28)
InChIKeyMHQDLLRGDFFEJX-UHFFFAOYSA-N
XLogP3.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide?
The IUPAC name of N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide (CID 59352661) is N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide.
What is the SMILES notation for N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide?
The canonical SMILES for N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C(=O)NC3CCCCC3)cccc21.
What is the InChIKey of N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide?
The InChIKey is MHQDLLRGDFFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-27-18-9-5-8-16(23(28)26-15-6-3-2-4-7-15)22(18)25(24(27)29)14-32-19-13-21-20(12-17(19)25)30-10-11-31-21/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,26,28).
What are the key properties of N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide?
N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide is sourced from PubChem (CID 59352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).