N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide

C20H22N2O4 — CID 113206560

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C20H22N2O4/c1-24-14-5-6-15-16(12-22-17(15)11-14)20(23)21-9-8-13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyVKIKARYNKPYXND-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206560) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206560
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C20H22N2O4/c1-24-14-5-6-15-16(12-22-17(15)11-14)20(23)21-9-8-13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyVKIKARYNKPYXND-UHFFFAOYSA-N
XLogP3.17
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide (CID 113206560) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide is COc1ccc2c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is VKIKARYNKPYXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-14-5-6-15-16(12-22-17(15)11-14)20(23)21-9-8-13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).