6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide

C22H22N2O4 — CID 39984319

IUPAC6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)[nH]c2c1
InChIInChI=1S/C22H22N2O4/c1-26-16-7-5-14-11-18(24-17(14)13-16)21(25)23-15-6-8-19-20(12-15)28-22(27-19)9-3-2-4-10-22/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,25)
InChIKeyHUVIQJHDGBKVRP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.86
Rot. Bonds3

About 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide

6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide (PubChem CID 39984319) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide
PubChem CID39984319
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)[nH]c2c1
InChIInChI=1S/C22H22N2O4/c1-26-16-7-5-14-11-18(24-17(14)13-16)21(25)23-15-6-8-19-20(12-15)28-22(27-19)9-3-2-4-10-22/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,25)
InChIKeyHUVIQJHDGBKVRP-UHFFFAOYSA-N
XLogP4.86
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide (CID 39984319) is 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide?
The InChIKey is HUVIQJHDGBKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-16-7-5-14-11-18(24-17(14)13-16)21(25)23-15-6-8-19-20(12-15)28-22(27-19)9-3-2-4-10-22/h5-8,11-13,24H,2-4,9-10H2,1H3,(H,23,25).
What are the key properties of 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide?
6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 39984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).