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

C16H23NO3 — CID 104956597

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H23NO3/c1-12-6-8-13(9-7-12)20-11-10-16(19)17-14-4-2-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyHLOAHSHTHVMPCW-GJZGRUSLSA-N
MW277.36 g/mol
LogP2.18
Rot. Bonds5

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

N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide (PubChem CID 104956597) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
PubChem CID104956597
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H23NO3/c1-12-6-8-13(9-7-12)20-11-10-16(19)17-14-4-2-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyHLOAHSHTHVMPCW-GJZGRUSLSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956768
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840542
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide (CID 104956597) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is HLOAHSHTHVMPCW-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-6-8-13(9-7-12)20-11-10-16(19)17-14-4-2-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 104956597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).