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

C20H22N2O4 — CID 113206787

IUPACN-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C20H22N2O4/c1-5-12-8-6-7-9-14(12)22-20(23)13-11-21-15-10-16(24-2)18(25-3)19(26-4)17(13)15/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyAGUNQJYAXJGTQM-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.01
Rot. Bonds6

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

N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (PubChem CID 113206787) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
PubChem CID113206787
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C20H22N2O4/c1-5-12-8-6-7-9-14(12)22-20(23)13-11-21-15-10-16(24-2)18(25-3)19(26-4)17(13)15/h6-11,21H,5H2,1-4H3,(H,22,23)
InChIKeyAGUNQJYAXJGTQM-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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
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
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (CID 113206787) is N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide is CCc1ccccc1NC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12.
What is the InChIKey of N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The InChIKey is AGUNQJYAXJGTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-12-8-6-7-9-14(12)22-20(23)13-11-21-15-10-16(24-2)18(25-3)19(26-4)17(13)15/h6-11,21H,5H2,1-4H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).