3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

C21H26N2O2 — CID 118768379

IUPAC3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCN(C)c1cccc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)c1
InChIInChI=1S/C21H26N2O2/c1-23(2)18-10-6-8-16(14-18)15-7-5-9-17(13-15)21(25)22-19-11-3-4-12-20(19)24/h5-10,13-14,19-20,24H,3-4,11-12H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
InChIKeyMYIPXSYXAVTGNA-PMACEKPBSA-N
MW338.45 g/mol
LogP3.45
Rot. Bonds4

About 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 118768379) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID118768379
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCN(C)c1cccc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)c1
InChIInChI=1S/C21H26N2O2/c1-23(2)18-10-6-8-16(14-18)15-7-5-9-17(13-15)21(25)22-19-11-3-4-12-20(19)24/h5-10,13-14,19-20,24H,3-4,11-12H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
InChIKeyMYIPXSYXAVTGNA-PMACEKPBSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 102739177
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 118768379) is 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is CN(C)c1cccc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is MYIPXSYXAVTGNA-PMACEKPBSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)18-10-6-8-16(14-18)15-7-5-9-17(13-15)21(25)22-19-11-3-4-12-20(19)24/h5-10,13-14,19-20,24H,3-4,11-12H2,1-2H3,(H,22,25)/t19-,20-/m0/s1.
What are the key properties of 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 118768379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).