5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

C19H20N2O3 — CID 4909132

IUPAC5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-11-14-10-16(21-15(14)12-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyHOYZZXUDFUNPRC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.16
Rot. Bonds6

About 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 4909132) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID4909132
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-11-14-10-16(21-15(14)12-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyHOYZZXUDFUNPRC-UHFFFAOYSA-N
XLogP3.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 136026475
2,3-Dimethoxypaullone
CID 396081
D-64131
CID 3921152

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 4909132) is 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NCCc3ccccc3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is HOYZZXUDFUNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-11-14-10-16(21-15(14)12-18(17)24-2)19(22)20-9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4909132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).