3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide

C17H25NO2 — CID 104957177

IUPAC3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCCc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO2/c1-2-13-7-9-14(10-8-13)11-12-17(20)18-15-5-3-4-6-16(15)19/h7-10,15-16,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyKMUNVAPPCBPBRG-HOTGVXAUSA-N
MW275.39 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide

3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (PubChem CID 104957177) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
PubChem CID104957177
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCCc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO2/c1-2-13-7-9-14(10-8-13)11-12-17(20)18-15-5-3-4-6-16(15)19/h7-10,15-16,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyKMUNVAPPCBPBRG-HOTGVXAUSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide 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

N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (CID 104957177) is 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is CCc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The InChIKey is KMUNVAPPCBPBRG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-7-9-14(10-8-13)11-12-17(20)18-15-5-3-4-6-16(15)19/h7-10,15-16,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 104957177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).