1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone

C24H22N2O2 — CID 86728780

IUPAC1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)cc2)c1
InChIInChI=1S/C24H22N2O2/c1-16-10-12-17(13-11-16)23(26-18-6-5-7-19(14-18)28-2)24(27)21-15-25-22-9-4-3-8-20(21)22/h3-15,23,25-26H,1-2H3
InChIKeyOYRBPRHHJZDZPM-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.52
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone (PubChem CID 86728780) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone
PubChem CID86728780
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)cc2)c1
InChIInChI=1S/C24H22N2O2/c1-16-10-12-17(13-11-16)23(26-18-6-5-7-19(14-18)28-2)24(27)21-15-25-22-9-4-3-8-20(21)22/h3-15,23,25-26H,1-2H3
InChIKeyOYRBPRHHJZDZPM-UHFFFAOYSA-N
XLogP5.52
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
Bpr-0L075
CID 10359957
Koeniginequinone A
CID 11264975
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone (CID 86728780) is 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(C)cc2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone?
The InChIKey is OYRBPRHHJZDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-10-12-17(13-11-16)23(26-18-6-5-7-19(14-18)28-2)24(27)21-15-25-22-9-4-3-8-20(21)22/h3-15,23,25-26H,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone?
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone has a molecular weight of 370.45 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 86728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).