2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide

C26H34Cl2N2O2 — CID 22076302

IUPAC2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
SMILESCN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C26H34Cl2N2O2/c1-29(14-3-15-31)18-19-4-7-21(8-5-19)22-9-11-23(12-10-22)30(2)26(32)17-20-6-13-24(27)25(28)16-20/h4-8,13,16,22-23,31H,3,9-12,14-15,17-18H2,1-2H3
InChIKeyUHWHQIQUTVPDDT-UHFFFAOYSA-N
MW477.48 g/mol
LogP5.53
Rot. Bonds9

About 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide

2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide (PubChem CID 22076302) has the molecular formula C26H34Cl2N2O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
PubChem CID22076302
Molecular FormulaC26H34Cl2N2O2
Molecular Weight477.48 g/mol
Exact Mass476.20
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
SMILESCN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C26H34Cl2N2O2/c1-29(14-3-15-31)18-19-4-7-21(8-5-19)22-9-11-23(12-10-22)30(2)26(32)17-20-6-13-24(27)25(28)16-20/h4-8,13,16,22-23,31H,3,9-12,14-15,17-18H2,1-2H3
InChIKeyUHWHQIQUTVPDDT-UHFFFAOYSA-N
XLogP5.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide with MolForge

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Related Compounds

4-chloro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N,3-dimethylbenzamide
CID 22076314
4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 22076329
4-chloro-N-cyclohexyl-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]benzamide
CID 22076287
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
N-benzyl-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-4-phenylbut-3-enamide
CID 54033723
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
4-chloro-N-[4-[4-[[3-cyanopropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 22076296
3-[[4-[4-[(4-chlorobenzoyl)-methylamino]cyclohexyl]phenyl]methyl-methylamino]propyl acetate
CID 54152727
4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N,3-dimethylbenzamide
CID 19381392
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide (CID 22076302) is 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide is CN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide?
The InChIKey is UHWHQIQUTVPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O2/c1-29(14-3-15-31)18-19-4-7-21(8-5-19)22-9-11-23(12-10-22)30(2)26(32)17-20-6-13-24(27)25(28)16-20/h4-8,13,16,22-23,31H,3,9-12,14-15,17-18H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide has a molecular weight of 477.48 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 22076302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).