2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C20H22N2O2 — CID 110768838

IUPAC2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-14-17(16-9-5-6-10-18(16)22(14)2)12-20(23)21-13-15-8-4-7-11-19(15)24-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyBZDCDIDKUHIEDK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.35
Rot. Bonds5

About 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 110768838) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID110768838
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-14-17(16-9-5-6-10-18(16)22(14)2)12-20(23)21-13-15-8-4-7-11-19(15)24-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyBZDCDIDKUHIEDK-UHFFFAOYSA-N
XLogP3.35
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 7087302
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 110768838) is 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BZDCDIDKUHIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-17(16-9-5-6-10-18(16)22(14)2)12-20(23)21-13-15-8-4-7-11-19(15)24-3/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 110768838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).