2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone

C34H39N3O2 — CID 141146478

IUPAC2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCN(C)c1cc(-c2cc3c(C4CCCCC4)cccc3n2CC(=O)N2CCOCC2)ccc1-c1ccccc1
InChIInChI=1S/C34H39N3O2/c1-35(2)33-22-27(16-17-29(33)26-12-7-4-8-13-26)32-23-30-28(25-10-5-3-6-11-25)14-9-15-31(30)37(32)24-34(38)36-18-20-39-21-19-36/h4,7-9,12-17,22-23,25H,3,5-6,10-11,18-21,24H2,1-2H3
InChIKeyDJJWSCBPMKGRHK-UHFFFAOYSA-N
MW521.71 g/mol
LogP6.95
Rot. Bonds6

About 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone

2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146478) has the molecular formula C34H39N3O2 and a molecular weight of 521.71 g/mol. Its IUPAC name is 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146478
Molecular FormulaC34H39N3O2
Molecular Weight521.71 g/mol
Exact Mass521.30
IUPAC Name2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESCN(C)c1cc(-c2cc3c(C4CCCCC4)cccc3n2CC(=O)N2CCOCC2)ccc1-c1ccccc1
InChIInChI=1S/C34H39N3O2/c1-35(2)33-22-27(16-17-29(33)26-12-7-4-8-13-26)32-23-30-28(25-10-5-3-6-11-25)14-9-15-31(30)37(32)24-34(38)36-18-20-39-21-19-36/h4,7-9,12-17,22-23,25H,3,5-6,10-11,18-21,24H2,1-2H3
InChIKeyDJJWSCBPMKGRHK-UHFFFAOYSA-N
XLogP6.95
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.71
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146478) is 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone is CN(C)c1cc(-c2cc3c(C4CCCCC4)cccc3n2CC(=O)N2CCOCC2)ccc1-c1ccccc1.
What is the InChIKey of 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is DJJWSCBPMKGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O2/c1-35(2)33-22-27(16-17-29(33)26-12-7-4-8-13-26)32-23-30-28(25-10-5-3-6-11-25)14-9-15-31(30)37(32)24-34(38)36-18-20-39-21-19-36/h4,7-9,12-17,22-23,25H,3,5-6,10-11,18-21,24H2,1-2H3.
What are the key properties of 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 521.71 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclohexyl-2-[3-(dimethylamino)-4-phenylphenyl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).