2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone

C23H35NO2 — CID 57046520

IUPAC2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)CC3CCCCC3)C2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h8-11,17,20-22,25H,3-7,12-16H2,1-2H3
InChIKeyPFPZYPHIGQWXNN-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.53
Rot. Bonds6

About 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone

2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone (PubChem CID 57046520) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
PubChem CID57046520
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)CC3CCCCC3)C2)cc1
InChIInChI=1S/C23H35NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h8-11,17,20-22,25H,3-7,12-16H2,1-2H3
InChIKeyPFPZYPHIGQWXNN-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone (CID 57046520) is 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)CC3CCCCC3)C2)cc1.
What is the InChIKey of 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
The InChIKey is PFPZYPHIGQWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-24(2)16-18-8-10-19(11-9-18)20-12-13-22(25)21(15-20)23(26)14-17-6-4-3-5-7-17/h8-11,17,20-22,25H,3-7,12-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone?
2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone has a molecular weight of 357.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 57046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).