(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide

C16H22FNO3 — CID 98771935

IUPAC(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22FNO3/c1-11(21-13-9-7-12(17)8-10-13)16(20)18(2)14-5-3-4-6-15(14)19/h7-11,14-15,19H,3-6H2,1-2H3/t11-,14-,15+/m0/s1
InChIKeyANCIHWNYNFNEBP-TUKIKUTGSA-N
MW295.35 g/mol
LogP2.35
Rot. Bonds4

About (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide

(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide (PubChem CID 98771935) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
PubChem CID98771935
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22FNO3/c1-11(21-13-9-7-12(17)8-10-13)16(20)18(2)14-5-3-4-6-15(14)19/h7-11,14-15,19H,3-6H2,1-2H3/t11-,14-,15+/m0/s1
InChIKeyANCIHWNYNFNEBP-TUKIKUTGSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184782
(2R)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-fluorophenoxy)propanamide
CID 94134560
N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
CID 102634873
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
[(1R,3aS,7aR)-3-methylidene-1,2,3a,4,5,6,7,7a-octahydroinden-1-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 10448585
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide (CID 98771935) is (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide is C[C@H](Oc1ccc(F)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1O.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The InChIKey is ANCIHWNYNFNEBP-TUKIKUTGSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11(21-13-9-7-12(17)8-10-13)16(20)18(2)14-5-3-4-6-15(14)19/h7-11,14-15,19H,3-6H2,1-2H3/t11-,14-,15+/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide has a molecular weight of 295.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 98771935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).