N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide

C20H21N3O3 — CID 71702506

IUPACN-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)Nc3cccc(NC(C)=O)c3)cccc21
InChIInChI=1S/C20H21N3O3/c1-14(24)21-15-5-3-6-16(13-15)22-20(25)18-7-4-8-19-17(18)9-10-23(19)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHHRXXEZAHRHABF-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.50
Rot. Bonds6

About N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide

N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide (PubChem CID 71702506) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
PubChem CID71702506
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide
SMILESCOCCn1ccc2c(C(=O)Nc3cccc(NC(C)=O)c3)cccc21
InChIInChI=1S/C20H21N3O3/c1-14(24)21-15-5-3-6-16(13-15)22-20(25)18-7-4-8-19-17(18)9-10-23(19)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHHRXXEZAHRHABF-UHFFFAOYSA-N
XLogP3.50
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 71701299
1-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)indole-4-carboxamide
CID 71707694
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 51108315
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-4-carboxamide
CID 71701248
1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
CID 97264554
1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
CID 96557798
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
6-(2-methoxyethyl)-2-methyl-N-(3-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339963
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide (CID 71702506) is N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide is COCCn1ccc2c(C(=O)Nc3cccc(NC(C)=O)c3)cccc21.
What is the InChIKey of N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide?
The InChIKey is HHRXXEZAHRHABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)21-15-5-3-6-16(13-15)22-20(25)18-7-4-8-19-17(18)9-10-23(19)11-12-26-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide?
N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(2-methoxyethyl)indole-4-carboxamide is sourced from PubChem (CID 71702506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).