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

C19H20N2O3 — CID 4904384

IUPACN-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-21(12-13-7-5-4-6-8-13)19(22)16-9-14-10-17(23-2)18(24-3)11-15(14)20-16/h4-11,20H,12H2,1-3H3
InChIKeyQGYCRZFPLZFIGI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds5

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

N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 4904384) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID4904384
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-21(12-13-7-5-4-6-8-13)19(22)16-9-14-10-17(23-2)18(24-3)11-15(14)20-16/h4-11,20H,12H2,1-3H3
InChIKeyQGYCRZFPLZFIGI-UHFFFAOYSA-N
XLogP3.46
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Oxypertine
CID 4640
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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
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CID 386019

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide (CID 4904384) is N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide is COc1cc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2cc1OC.
What is the InChIKey of N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is QGYCRZFPLZFIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(12-13-7-5-4-6-8-13)19(22)16-9-14-10-17(23-2)18(24-3)11-15(14)20-16/h4-11,20H,12H2,1-3H3.
What are the key properties of N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide?
N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4904384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).