3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide

C18H28N2O2 — CID 111112920

IUPAC3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h6-8,13,17,21H,3-5,9-12,14H2,1-2H3
InChIKeyZVNGRRFWVCSWQL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.52
Rot. Bonds6

About 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide

3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111112920) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID111112920
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(CCO)C2CCCCC2)c1
InChIInChI=1S/C18H28N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h6-8,13,17,21H,3-5,9-12,14H2,1-2H3
InChIKeyZVNGRRFWVCSWQL-UHFFFAOYSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
CID 111544007
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225
3-[[2-carboxyethyl(cyclopropyl)amino]methyl]benzoic acid
CID 82327896

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide (CID 111112920) is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN(CCO)C2CCCCC2)c1.
What is the InChIKey of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is ZVNGRRFWVCSWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h6-8,13,17,21H,3-5,9-12,14H2,1-2H3.
What are the key properties of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 304.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111112920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).