3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide

C17H25NO3 — CID 104956768

IUPAC3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-13(2)17(12)21-11-10-16(20)18-14-8-3-4-9-15(14)19/h5-7,14-15,19H,3-4,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeySZBHBAHDEWEMMR-GJZGRUSLSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds5

About 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide

3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (PubChem CID 104956768) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
PubChem CID104956768
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-13(2)17(12)21-11-10-16(20)18-14-8-3-4-9-15(14)19/h5-7,14-15,19H,3-4,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeySZBHBAHDEWEMMR-GJZGRUSLSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527913
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279864
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (CID 104956768) is 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is Cc1cccc(C)c1OCCC(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The InChIKey is SZBHBAHDEWEMMR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-6-5-7-13(2)17(12)21-11-10-16(20)18-14-8-3-4-9-15(14)19/h5-7,14-15,19H,3-4,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 104956768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).