N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide

C20H28FNO2 — CID 138547127

IUPACN-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C20H28FNO2/c21-17-8-6-15(7-9-17)19(16-10-12-24-13-11-16)14-20(23)22-18-4-2-1-3-5-18/h6-9,16,18-19H,1-5,10-14H2,(H,22,23)
InChIKeyOIWDFYDNKKYZQE-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.17
Rot. Bonds5

About N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide

N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide (PubChem CID 138547127) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide
PubChem CID138547127
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC NameN-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C20H28FNO2/c21-17-8-6-15(7-9-17)19(16-10-12-24-13-11-16)14-20(23)22-18-4-2-1-3-5-18/h6-9,16,18-19H,1-5,10-14H2,(H,22,23)
InChIKeyOIWDFYDNKKYZQE-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-Amino-1-((R)-3-benzyl-morpholin-4-yl)-4-(2-fluoro-phenyl)-butan-1-one
CID 10183667
N-(oxan-4-yl)-6-phenylhexanamide
CID 154665768
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354311
Methyl 4-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 51354590
N-(3-butoxypropyl)-3-phenylbutanamide
CID 2915773
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
(R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyltetrahydro-2H-pyran-4-yl)butanamide
CID 44589931
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide
CID 11358226
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
[(3R)-3-benzylmorpholin-4-yl]-[(3S,4R)-4-phenylpyrrolidin-3-yl]methanone
CID 57396216
N-[(4-Phenyloxan-4-YL)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide (CID 138547127) is N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide is O=C(CC(c1ccc(F)cc1)C1CCOCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide?
The InChIKey is OIWDFYDNKKYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c21-17-8-6-15(7-9-17)19(16-10-12-24-13-11-16)14-20(23)22-18-4-2-1-3-5-18/h6-9,16,18-19H,1-5,10-14H2,(H,22,23).
What are the key properties of N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide?
N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide has a molecular weight of 333.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 138547127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).