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

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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).