1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one

C19H22N2O — CID 109034726

IUPAC1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
SMILESCCc1ccc(NCCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-2-15-7-9-17(10-8-15)20-13-11-19(22)21-14-12-16-5-3-4-6-18(16)21/h3-10,20H,2,11-14H2,1H3
InChIKeyWDDCVSFXBRSJMC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one (PubChem CID 109034726) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
PubChem CID109034726
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
SMILESCCc1ccc(NCCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-2-15-7-9-17(10-8-15)20-13-11-19(22)21-14-12-16-5-3-4-6-18(16)21/h3-10,20H,2,11-14H2,1H3
InChIKeyWDDCVSFXBRSJMC-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one 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

1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845787
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one (CID 109034726) is 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one is CCc1ccc(NCCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one?
The InChIKey is WDDCVSFXBRSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-15-7-9-17(10-8-15)20-13-11-19(22)21-14-12-16-5-3-4-6-18(16)21/h3-10,20H,2,11-14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one is sourced from PubChem (CID 109034726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).