N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide

C17H24FNO2 — CID 78853035

IUPACN-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C17H24FNO2/c1-11-6-4-7-12(2)16(11)19-17(20)13(3)21-15-9-5-8-14(18)10-15/h5,8-13,16H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyZTEKSXMGOPBRHK-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.53
Rot. Bonds4

About N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide

N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 78853035) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
PubChem CID78853035
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1C(C)CCCC1C
InChIInChI=1S/C17H24FNO2/c1-11-6-4-7-12(2)16(11)19-17(20)13(3)21-15-9-5-8-14(18)10-15/h5,8-13,16H,4,6-7H2,1-3H3,(H,19,20)
InChIKeyZTEKSXMGOPBRHK-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929296
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide (CID 78853035) is N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)NC1C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is ZTEKSXMGOPBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-11-6-4-7-12(2)16(11)19-17(20)13(3)21-15-9-5-8-14(18)10-15/h5,8-13,16H,4,6-7H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide?
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 293.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 78853035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).