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

C19H22N2O — CID 109034719

IUPAC1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
SMILESCc1ccc(NCCC(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O/c1-14-7-8-17(15(2)13-14)20-11-9-19(22)21-12-10-16-5-3-4-6-18(16)21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyWLPNMIALRNXIFK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.69
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one (PubChem CID 109034719) 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-(2,4-dimethylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
PubChem CID109034719
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
SMILESCc1ccc(NCCC(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H22N2O/c1-14-7-8-17(15(2)13-14)20-11-9-19(22)21-12-10-16-5-3-4-6-18(16)21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyWLPNMIALRNXIFK-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one (CID 109034719) is 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one is Cc1ccc(NCCC(=O)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one?
The InChIKey is WLPNMIALRNXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-7-8-17(15(2)13-14)20-11-9-19(22)21-12-10-16-5-3-4-6-18(16)21/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.69, 4 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-(2,4-dimethylanilino)propan-1-one is sourced from PubChem (CID 109034719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).