1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone

C23H28N2O2 — CID 166782167

IUPAC1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone
SMILESCOc1ccc(/N=C(\C)CN2CC(C(C)C)c3ccccc32)c(C(C)=O)c1
InChIInChI=1S/C23H28N2O2/c1-15(2)21-14-25(23-9-7-6-8-19(21)23)13-16(3)24-22-11-10-18(27-5)12-20(22)17(4)26/h6-12,15,21H,13-14H2,1-5H3/b24-16+
InChIKeyGBYPGVAARFSSRC-LFVJCYFKSA-N
MW364.49 g/mol
LogP5.25
Rot. Bonds6

About 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone

1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone (PubChem CID 166782167) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone
PubChem CID166782167
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone
SMILESCOc1ccc(/N=C(\C)CN2CC(C(C)C)c3ccccc32)c(C(C)=O)c1
InChIInChI=1S/C23H28N2O2/c1-15(2)21-14-25(23-9-7-6-8-19(21)23)13-16(3)24-22-11-10-18(27-5)12-20(22)17(4)26/h6-12,15,21H,13-14H2,1-5H3/b24-16+
InChIKeyGBYPGVAARFSSRC-LFVJCYFKSA-N
XLogP5.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78900165
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanone
CID 82003693
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
1-[3-(4-methoxyphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691427
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
(2-hydroxy-4-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711808
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone?
The IUPAC name of 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone (CID 166782167) is 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone is COc1ccc(/N=C(\C)CN2CC(C(C)C)c3ccccc32)c(C(C)=O)c1.
What is the InChIKey of 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone?
The InChIKey is GBYPGVAARFSSRC-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)21-14-25(23-9-7-6-8-19(21)23)13-16(3)24-22-11-10-18(27-5)12-20(22)17(4)26/h6-12,15,21H,13-14H2,1-5H3/b24-16+.
What are the key properties of 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone?
1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[1-(3-propan-2-yl-2,3-dihydroindol-1-yl)propan-2-ylideneamino]phenyl]ethanone is sourced from PubChem (CID 166782167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).