4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide

C19H26FNO2 — CID 60582793

IUPAC4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C19H26FNO2/c1-14-3-2-4-17(13-14)21-18(22)19(9-11-23-12-10-19)15-5-7-16(20)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,22)
InChIKeySOFWMOUXJREWFN-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.57
Rot. Bonds3

About 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide (PubChem CID 60582793) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
PubChem CID60582793
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C19H26FNO2/c1-14-3-2-4-17(13-14)21-18(22)19(9-11-23-12-10-19)15-5-7-16(20)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,22)
InChIKeySOFWMOUXJREWFN-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230001
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 95161026
N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 126789566
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
CID 95353416
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
CID 64893109
cis-(1R,3S)-3-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678235
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
cis-(1R,3S)-3-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 155957159

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide (CID 60582793) is 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide is CC1CCCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide?
The InChIKey is SOFWMOUXJREWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-14-3-2-4-17(13-14)21-18(22)19(9-11-23-12-10-19)15-5-7-16(20)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 60582793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).