1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one

C20H24N2O — CID 109034727

IUPAC1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
SMILESCCc1cccc(C)c1NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-16-9-6-7-15(2)20(16)21-13-11-19(23)22-14-12-17-8-4-5-10-18(17)22/h4-10,21H,3,11-14H2,1-2H3
InChIKeyRACSKVZWXFVWAU-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.95
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one (PubChem CID 109034727) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
PubChem CID109034727
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
SMILESCCc1cccc(C)c1NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-16-9-6-7-15(2)20(16)21-13-11-19(23)22-14-12-17-8-4-5-10-18(17)22/h4-10,21H,3,11-14H2,1-2H3
InChIKeyRACSKVZWXFVWAU-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682463
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one (CID 109034727) is 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one is CCc1cccc(C)c1NCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one?
The InChIKey is RACSKVZWXFVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-16-9-6-7-15(2)20(16)21-13-11-19(23)22-14-12-17-8-4-5-10-18(17)22/h4-10,21H,3,11-14H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.95, 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-(2-ethyl-6-methylanilino)propan-1-one is sourced from PubChem (CID 109034727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).