1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone

C23H28N2O3 — CID 78900165

IUPAC1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CC(C)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H28N2O3/c1-16-14-24(20-8-5-4-7-18(16)20)15-23(26)25-12-6-9-21(25)19-11-10-17(27-2)13-22(19)28-3/h4-5,7-8,10-11,13,16,21H,6,9,12,14-15H2,1-3H3
InChIKeyZEXZEKWLEYEHMC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.99
Rot. Bonds5

About 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 78900165) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID78900165
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CN2CC(C)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H28N2O3/c1-16-14-24(20-8-5-4-7-18(16)20)15-23(26)25-12-6-9-21(25)19-11-10-17(27-2)13-22(19)28-3/h4-5,7-8,10-11,13,16,21H,6,9,12,14-15H2,1-3H3
InChIKeyZEXZEKWLEYEHMC-UHFFFAOYSA-N
XLogP3.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 100842235
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60503715
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129393336
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 42920231
(3S)-3-(benzotriazol-1-yl)-1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 92581747
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46411403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone (CID 78900165) is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone is COc1ccc(C2CCCN2C(=O)CN2CC(C)c3ccccc32)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ZEXZEKWLEYEHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-14-24(20-8-5-4-7-18(16)20)15-23(26)25-12-6-9-21(25)19-11-10-17(27-2)13-22(19)28-3/h4-5,7-8,10-11,13,16,21H,6,9,12,14-15H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone?
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 380.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 78900165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).