N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide

C19H20N2O — CID 110702447

IUPACN-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-17(16-10-6-7-11-18(16)20-14)12-19(22)21(2)13-15-8-4-3-5-9-15/h3-11,20H,12-13H2,1-2H3
InChIKeyZUKPAAJFSAEOIX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide

N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 110702447) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID110702447
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-17(16-10-6-7-11-18(16)20-14)12-19(22)21(2)13-15-8-4-3-5-9-15/h3-11,20H,12-13H2,1-2H3
InChIKeyZUKPAAJFSAEOIX-UHFFFAOYSA-N
XLogP3.68
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 31888596
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-benzyl-N-methyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827558
(E)-4-(2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 116866024
N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 162654341
(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405594
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide (CID 110702447) is N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is ZUKPAAJFSAEOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-17(16-10-6-7-11-18(16)20-14)12-19(22)21(2)13-15-8-4-3-5-9-15/h3-11,20H,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide?
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).