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

C19H22N2O2 — CID 87033332

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H22N2O2/c1-13-12-16(8-9-18(13)23-3)20-14(2)19(22)21-11-10-15-6-4-5-7-17(15)21/h4-9,12,14,20H,10-11H2,1-3H3
InChIKeyGJFNXCZHEIAEMY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one (PubChem CID 87033332) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
PubChem CID87033332
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H22N2O2/c1-13-12-16(8-9-18(13)23-3)20-14(2)19(22)21-11-10-15-6-4-5-7-17(15)21/h4-9,12,14,20H,10-11H2,1-3H3
InChIKeyGJFNXCZHEIAEMY-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
methyl 5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-nitrobenzoate
CID 133285144
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
CID 46383430
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one (CID 87033332) is 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one is COc1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one?
The InChIKey is GJFNXCZHEIAEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-12-16(8-9-18(13)23-3)20-14(2)19(22)21-11-10-15-6-4-5-7-17(15)21/h4-9,12,14,20H,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one is sourced from PubChem (CID 87033332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).