4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide

C21H24N2O5 — CID 113206747

IUPAC4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C21H24N2O5/c1-25-16-8-6-5-7-13(16)9-10-22-21(24)14-12-23-15-11-17(26-2)19(27-3)20(28-4)18(14)15/h5-8,11-12,23H,9-10H2,1-4H3,(H,22,24)
InChIKeyMNPKHSAIUPMMEH-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.17
Rot. Bonds8

About 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 113206747) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
PubChem CID113206747
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12
InChIInChI=1S/C21H24N2O5/c1-25-16-8-6-5-7-13(16)9-10-22-21(24)14-12-23-15-11-17(26-2)19(27-3)20(28-4)18(14)15/h5-8,11-12,23H,9-10H2,1-4H3,(H,22,24)
InChIKeyMNPKHSAIUPMMEH-UHFFFAOYSA-N
XLogP3.17
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide (CID 113206747) is 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide is COc1ccccc1CCNC(=O)c1c[nH]c2cc(OC)c(OC)c(OC)c12.
What is the InChIKey of 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is MNPKHSAIUPMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-25-16-8-6-5-7-13(16)9-10-22-21(24)14-12-23-15-11-17(26-2)19(27-3)20(28-4)18(14)15/h5-8,11-12,23H,9-10H2,1-4H3,(H,22,24).
What are the key properties of 4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.17, 8 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-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).