N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide

C21H21N3O2 — CID 56763718

IUPACN-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
SMILESCOCCn1ccc2c(NC(=O)c3ccc4ccn(C)c4c3)cccc21
InChIInChI=1S/C21H21N3O2/c1-23-10-8-15-6-7-16(14-20(15)23)21(25)22-18-4-3-5-19-17(18)9-11-24(19)12-13-26-2/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyCLDAMWXZUYPJNF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide

N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide (PubChem CID 56763718) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
PubChem CID56763718
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
SMILESCOCCn1ccc2c(NC(=O)c3ccc4ccn(C)c4c3)cccc21
InChIInChI=1S/C21H21N3O2/c1-23-10-8-15-6-7-16(14-20(15)23)21(25)22-18-4-3-5-19-17(18)9-11-24(19)12-13-26-2/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyCLDAMWXZUYPJNF-UHFFFAOYSA-N
XLogP4.03
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
CID 71754680
N-(1-methylindol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 52900916
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 110205741
N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
CID 71702506
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71700664
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
CID 71706055
1-methylindole-6-carboxamide
CID 22245947
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71753500

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide (CID 56763718) is N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide is COCCn1ccc2c(NC(=O)c3ccc4ccn(C)c4c3)cccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide?
The InChIKey is CLDAMWXZUYPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23-10-8-15-6-7-16(14-20(15)23)21(25)22-18-4-3-5-19-17(18)9-11-24(19)12-13-26-2/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide?
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 56763718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).