3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide

C17H24ClNO3 — CID 110003754

IUPAC3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide
SMILESCN(CC1CCCCC1O)C(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO3/c1-19(11-13-4-2-3-5-15(13)20)17(22)10-16(21)12-6-8-14(18)9-7-12/h6-9,13,15-16,20-21H,2-5,10-11H2,1H3
InChIKeyCFPULLTUYLNZSF-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.77
Rot. Bonds5

About 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide

3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide (PubChem CID 110003754) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide
PubChem CID110003754
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide
SMILESCN(CC1CCCCC1O)C(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO3/c1-19(11-13-4-2-3-5-15(13)20)17(22)10-16(21)12-6-8-14(18)9-7-12/h6-9,13,15-16,20-21H,2-5,10-11H2,1H3
InChIKeyCFPULLTUYLNZSF-UHFFFAOYSA-N
XLogP2.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
3-[2-(4-chlorophenoxy)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398774
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide (CID 110003754) is 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide is CN(CC1CCCCC1O)C(=O)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide?
The InChIKey is CFPULLTUYLNZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-19(11-13-4-2-3-5-15(13)20)17(22)10-16(21)12-6-8-14(18)9-7-12/h6-9,13,15-16,20-21H,2-5,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide?
3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide has a molecular weight of 325.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 110003754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).