N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide

C20H22N2O3 — CID 4899187

IUPACN-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C20H22N2O3/c1-4-22(13-14-8-6-5-7-9-14)20(23)17-10-15-11-18(24-2)19(25-3)12-16(15)21-17/h5-12,21H,4,13H2,1-3H3
InChIKeyXEWAKNDOAGZQKD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.85
Rot. Bonds6

About N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide

N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 4899187) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID4899187
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C20H22N2O3/c1-4-22(13-14-8-6-5-7-9-14)20(23)17-10-15-11-18(24-2)19(25-3)12-16(15)21-17/h5-12,21H,4,13H2,1-3H3
InChIKeyXEWAKNDOAGZQKD-UHFFFAOYSA-N
XLogP3.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tadalafil
CID 110635
Oxypertine
CID 4640
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
CID 104999
Tryprostatin A
CID 9929833
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Koeniginequinone B
CID 11184822
2-(1,3-Benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 4687521
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
4-Ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester hydrochloride
CID 45261899
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
3-(Chloromethyl)-6-hydroxy-1-((5,6,7-trimethoxyindol-2-yl)carbonyl)indoline
CID 386019

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide (CID 4899187) is N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1.
What is the InChIKey of N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is XEWAKNDOAGZQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-22(13-14-8-6-5-7-9-14)20(23)17-10-15-11-18(24-2)19(25-3)12-16(15)21-17/h5-12,21H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide?
N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 4899187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).