2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone

C24H22N2O3 — CID 42916879

IUPAC2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCOc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1
InChIInChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3
InChIKeyRUOUETBOFZRKGX-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.22
Rot. Bonds7

About 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone

2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 42916879) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID42916879
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
SMILESCOc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1
InChIInChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3
InChIKeyRUOUETBOFZRKGX-UHFFFAOYSA-N
XLogP5.22
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Bpr-0L075
CID 10359957
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336
Arenarine C
CID 188439
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44578660

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone (CID 42916879) is 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone is COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is RUOUETBOFZRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-18-12-17(13-19(14-18)29-2)26-23(16-8-4-3-5-9-16)24(27)21-15-25-22-11-7-6-10-20(21)22/h3-15,23,25-26H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone?
2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 386.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 42916879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).