1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone

C22H27N3O — CID 110452337

IUPAC1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC(c3ccccc3)N3CCCC3)ccc21
InChIInChI=1S/C22H27N3O/c1-17(26)25-14-11-19-15-20(9-10-21(19)25)23-16-22(24-12-5-6-13-24)18-7-3-2-4-8-18/h2-4,7-10,15,22-23H,5-6,11-14,16H2,1H3
InChIKeySNIFGNCUQGSODR-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.84
Rot. Bonds5

About 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110452337) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110452337
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC(c3ccccc3)N3CCCC3)ccc21
InChIInChI=1S/C22H27N3O/c1-17(26)25-14-11-19-15-20(9-10-21(19)25)23-16-22(24-12-5-6-13-24)18-7-3-2-4-8-18/h2-4,7-10,15,22-23H,5-6,11-14,16H2,1H3
InChIKeySNIFGNCUQGSODR-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-phenyl-1-piperidin-1-ylethanone
CID 47013128
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone (CID 110452337) is 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCC(c3ccccc3)N3CCCC3)ccc21.
What is the InChIKey of 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is SNIFGNCUQGSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(26)25-14-11-19-15-20(9-10-21(19)25)23-16-22(24-12-5-6-13-24)18-7-3-2-4-8-18/h2-4,7-10,15,22-23H,5-6,11-14,16H2,1H3.
What are the key properties of 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 349.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110452337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).