1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone

C28H30N2O3 — CID 161389830

IUPAC1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Oc3ccc4c(ccn4CCCN(C)C)c3)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-29(2)16-4-17-30-18-15-23-20-26(13-14-27(23)30)33-25-11-7-22(8-12-25)28(31)19-21-5-9-24(32-3)10-6-21/h5-15,18,20H,4,16-17,19H2,1-3H3
InChIKeyKBZMREKRTJOSNY-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.82
Rot. Bonds10

About 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone

1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone (PubChem CID 161389830) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
PubChem CID161389830
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(Oc3ccc4c(ccn4CCCN(C)C)c3)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-29(2)16-4-17-30-18-15-23-20-26(13-14-27(23)30)33-25-11-7-22(8-12-25)28(31)19-21-5-9-24(32-3)10-6-21/h5-15,18,20H,4,16-17,19H2,1-3H3
InChIKeyKBZMREKRTJOSNY-UHFFFAOYSA-N
XLogP5.82
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-fluorophenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]phenyl]-2-(3-methoxyphenyl)ethanone
CID 162223812
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
3-chloro-4-[1-[(4-methoxyphenyl)methyl]indol-5-yl]oxybenzoic acid
CID 10787582
CID 175926008
CID 175926008
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
4-(1-butylindol-5-yl)oxy-3-chlorobenzoic acid
CID 10665094
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone (CID 161389830) is 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(Oc3ccc4c(ccn4CCCN(C)C)c3)cc2)cc1.
What is the InChIKey of 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is KBZMREKRTJOSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-29(2)16-4-17-30-18-15-23-20-26(13-14-27(23)30)33-25-11-7-22(8-12-25)28(31)19-21-5-9-24(32-3)10-6-21/h5-15,18,20H,4,16-17,19H2,1-3H3.
What are the key properties of 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone?
1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 442.56 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[3-(dimethylamino)propyl]indol-5-yl]oxyphenyl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 161389830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).