4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide

C21H24N2O4 — CID 113206791

IUPAC4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3C(C)C)c2c(OC)c1OC
InChIInChI=1S/C21H24N2O4/c1-12(2)13-8-6-7-9-15(13)23-21(24)14-11-22-16-10-17(25-3)19(26-4)20(27-5)18(14)16/h6-12,22H,1-5H3,(H,23,24)
InChIKeyDOYIHWGHOTZFSH-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.57
Rot. Bonds6

About 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide (PubChem CID 113206791) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
PubChem CID113206791
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3C(C)C)c2c(OC)c1OC
InChIInChI=1S/C21H24N2O4/c1-12(2)13-8-6-7-9-15(13)23-21(24)14-11-22-16-10-17(25-3)19(26-4)20(27-5)18(14)16/h6-12,22H,1-5H3,(H,23,24)
InChIKeyDOYIHWGHOTZFSH-UHFFFAOYSA-N
XLogP4.57
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide (CID 113206791) is 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3ccccc3C(C)C)c2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide?
The InChIKey is DOYIHWGHOTZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12(2)13-8-6-7-9-15(13)23-21(24)14-11-22-16-10-17(25-3)19(26-4)20(27-5)18(14)16/h6-12,22H,1-5H3,(H,23,24).
What are the key properties of 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).