N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide

C17H25NO2 — CID 102635327

IUPACN-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C17H25NO2/c1-13-7-9-14(10-8-13)11-12-17(20)18(2)15-5-3-4-6-16(15)19/h7-10,15-16,19H,3-6,11-12H2,1-2H3
InChIKeyNIKJQOHATXCFBA-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.69
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide

N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide (PubChem CID 102635327) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
PubChem CID102635327
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)C2CCCCC2O)cc1
InChIInChI=1S/C17H25NO2/c1-13-7-9-14(10-8-13)11-12-17(20)18(2)15-5-3-4-6-16(15)19/h7-10,15-16,19H,3-6,11-12H2,1-2H3
InChIKeyNIKJQOHATXCFBA-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
CID 102638215
N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 63391778
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
CID 106627458
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide (CID 102635327) is N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(C)C2CCCCC2O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is NIKJQOHATXCFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-9-14(10-8-13)11-12-17(20)18(2)15-5-3-4-6-16(15)19/h7-10,15-16,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide?
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 102635327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).