2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H25N3O — CID 113211474

IUPAC2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1c(CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2n1C
InChIInChI=1S/C22H25N3O/c1-16-20(19-7-3-4-8-21(19)24(16)2)15-22(26)23-17-9-11-18(12-10-17)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26)
InChIKeyGVUQOMUSRKYWMI-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.27
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113211474) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113211474
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1c(CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2n1C
InChIInChI=1S/C22H25N3O/c1-16-20(19-7-3-4-8-21(19)24(16)2)15-22(26)23-17-9-11-18(12-10-17)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26)
InChIKeyGVUQOMUSRKYWMI-UHFFFAOYSA-N
XLogP4.27
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113211478
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(1,2-dimethylindol-3-yl)ethanone
CID 110800544
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113211474) is 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1c(CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is GVUQOMUSRKYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-20(19-7-3-4-8-21(19)24(16)2)15-22(26)23-17-9-11-18(12-10-17)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.27, 4 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-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113211474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).