3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

C20H22N2O3 — CID 110789064

IUPAC3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O3/c1-13-17(18-6-4-5-7-19(18)22-13)8-9-21-20(23)14-10-15(24-2)12-16(11-14)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyKRIKKGKHSKEUIJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 110789064) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID110789064
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O3/c1-13-17(18-6-4-5-7-19(18)22-13)8-9-21-20(23)14-10-15(24-2)12-16(11-14)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyKRIKKGKHSKEUIJ-UHFFFAOYSA-N
XLogP3.47
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
CID 71975738
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 155540476
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325623
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 110789064) is 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is KRIKKGKHSKEUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-17(18-6-4-5-7-19(18)22-13)8-9-21-20(23)14-10-15(24-2)12-16(11-14)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 110789064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).