2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide

C21H20N2O2 — CID 21370258

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-22(16-7-3-2-4-8-16)20(24)14-23-13-18(21(25)15-11-12-15)17-9-5-6-10-19(17)23/h2-10,13,15H,11-12,14H2,1H3
InChIKeySPGMIRSEJVKOTJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.90
Rot. Bonds5

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 21370258) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID21370258
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-22(16-7-3-2-4-8-16)20(24)14-23-13-18(21(25)15-11-12-15)17-9-5-6-10-19(17)23/h2-10,13,15H,11-12,14H2,1H3
InChIKeySPGMIRSEJVKOTJ-UHFFFAOYSA-N
XLogP3.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 43957368
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one
CID 164977768
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563713

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide (CID 21370258) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is SPGMIRSEJVKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22(16-7-3-2-4-8-16)20(24)14-23-13-18(21(25)15-11-12-15)17-9-5-6-10-19(17)23/h2-10,13,15H,11-12,14H2,1H3.
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 332.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 21370258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).