2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

C18H27NO3 — CID 56923272

IUPAC2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCc1ccc(C)c(OC(C)C(=O)N(C)C2CCCCC2O)c1
InChIInChI=1S/C18H27NO3/c1-12-9-10-13(2)17(11-12)22-14(3)18(21)19(4)15-7-5-6-8-16(15)20/h9-11,14-16,20H,5-8H2,1-4H3
InChIKeyQAAVVBPODSJDGL-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.83
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (PubChem CID 56923272) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
PubChem CID56923272
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCc1ccc(C)c(OC(C)C(=O)N(C)C2CCCCC2O)c1
InChIInChI=1S/C18H27NO3/c1-12-9-10-13(2)17(11-12)22-14(3)18(21)19(4)15-7-5-6-8-16(15)20/h9-11,14-16,20H,5-8H2,1-4H3
InChIKeyQAAVVBPODSJDGL-UHFFFAOYSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184782
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536454
2-(2-bromo-4-methylphenoxy)-N-cyclohexyl-N-methylpropanamide
CID 112788528
N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
CID 4945045
N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
CID 102634873
(2R)-2-(2-chloro-5-methylphenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 94638078
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (CID 56923272) is 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is Cc1ccc(C)c(OC(C)C(=O)N(C)C2CCCCC2O)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The InChIKey is QAAVVBPODSJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12-9-10-13(2)17(11-12)22-14(3)18(21)19(4)15-7-5-6-8-16(15)20/h9-11,14-16,20H,5-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 56923272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).