N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide

C21H30FNO2 — CID 176700331

IUPACN-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(F)cc1OCC1CC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C21H30FNO2/c1-14(2)19-9-8-17(22)12-20(19)25-13-15-10-18(11-15)23-21(24)16-6-4-3-5-7-16/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3,(H,23,24)
InChIKeyRUNLNRCOIMNIOD-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.80
Rot. Bonds6

About N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide

N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide (PubChem CID 176700331) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide
PubChem CID176700331
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC NameN-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(F)cc1OCC1CC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C21H30FNO2/c1-14(2)19-9-8-17(22)12-20(19)25-13-15-10-18(11-15)23-21(24)16-6-4-3-5-7-16/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3,(H,23,24)
InChIKeyRUNLNRCOIMNIOD-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methoxyphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895819
N-[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]cyclobutanecarboxamide
CID 16094585
2-Cyano-2-cyclopropyl-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-acetamide
CID 44288172
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide
CID 44288325
2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288454
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288559
N-cycloheptyl-2-(2-methoxyphenyl)acetamide
CID 690543
N-cyclohexyl-4-(3-methylphenoxy)butanamide
CID 1565322
N-cyclohexyl-4-(2,5-dimethylphenoxy)butanamide
CID 1570418
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide (CID 176700331) is N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide is CC(C)c1ccc(F)cc1OCC1CC(NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide?
The InChIKey is RUNLNRCOIMNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-14(2)19-9-8-17(22)12-20(19)25-13-15-10-18(11-15)23-21(24)16-6-4-3-5-7-16/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3,(H,23,24).
What are the key properties of N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide?
N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide has a molecular weight of 347.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-fluoro-2-propan-2-ylphenoxy)methyl]cyclobutyl]cyclohexanecarboxamide is sourced from PubChem (CID 176700331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).