4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide

C20H22N2O5 — CID 113206816

IUPAC4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C20H22N2O5/c1-11-6-7-15(24-2)13(8-11)22-20(23)12-10-21-14-9-16(25-3)18(26-4)19(27-5)17(12)14/h6-10,21H,1-5H3,(H,22,23)
InChIKeyPCHPMOJBVJWBDT-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.76
Rot. Bonds6

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

4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 113206816) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
PubChem CID113206816
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C20H22N2O5/c1-11-6-7-15(24-2)13(8-11)22-20(23)12-10-21-14-9-16(25-3)18(26-4)19(27-5)17(12)14/h6-10,21H,1-5H3,(H,22,23)
InChIKeyPCHPMOJBVJWBDT-UHFFFAOYSA-N
XLogP3.76
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
4-hydrazinyl-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240121
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide (CID 113206816) is 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12.
What is the InChIKey of 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is PCHPMOJBVJWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-11-6-7-15(24-2)13(8-11)22-20(23)12-10-21-14-9-16(25-3)18(26-4)19(27-5)17(12)14/h6-10,21H,1-5H3,(H,22,23).
What are the key properties of 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).