5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide

C20H22N2O4 — CID 113206991

IUPAC5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3OC(C)C)c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-12(2)26-17-8-6-5-7-15(17)22-20(23)14-11-21-16-10-19(25-4)18(24-3)9-13(14)16/h5-12,21H,1-4H3,(H,22,23)
InChIKeyZUEUKCLLSZOPCJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.22
Rot. Bonds6

About 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide

5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide (PubChem CID 113206991) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
PubChem CID113206991
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3OC(C)C)c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-12(2)26-17-8-6-5-7-15(17)22-20(23)14-11-21-16-10-19(25-4)18(24-3)9-13(14)16/h5-12,21H,1-4H3,(H,22,23)
InChIKeyZUEUKCLLSZOPCJ-UHFFFAOYSA-N
XLogP4.22
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide (CID 113206991) is 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3ccccc3OC(C)C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is ZUEUKCLLSZOPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(2)26-17-8-6-5-7-15(17)22-20(23)14-11-21-16-10-19(25-4)18(24-3)9-13(14)16/h5-12,21H,1-4H3,(H,22,23).
What are the key properties of 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide?
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).