2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide

C25H33F2NO2 — CID 16757061

IUPAC2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C25H33F2NO2/c26-22-2-1-3-23(27)21(22)15-30-20-6-4-19(5-7-20)28-24(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h1-3,16-20H,4-15H2,(H,28,29)
InChIKeyCQQVNVUNYDRHDE-UHFFFAOYSA-N
MW417.54 g/mol
LogP5.52
Rot. Bonds6

About 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide

2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide (PubChem CID 16757061) has the molecular formula C25H33F2NO2 and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide
PubChem CID16757061
Molecular FormulaC25H33F2NO2
Molecular Weight417.54 g/mol
Exact Mass417.25
IUPAC Name2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C25H33F2NO2/c26-22-2-1-3-23(27)21(22)15-30-20-6-4-19(5-7-20)28-24(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h1-3,16-20H,4-15H2,(H,28,29)
InChIKeyCQQVNVUNYDRHDE-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantan-1-yl-3-[4-(2,6-difluoro-benzyloxy)-cyclohexyl]-urea
CID 11546213
cis-2-adamantan-1-yl-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide
CID 16756387
N-(1-adamantyl)-7-phenylmethoxyheptanamide
CID 70694285
1-(1-Adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
CID 118719461
N-[2-(2-phenylmorpholin-4-yl)ethyl]adamantane-1-carboxamide
CID 16892411
N-[3-(2-phenylmorpholin-4-yl)propyl]adamantane-1-carboxamide
CID 16892506
N-[4-(2-phenylmorpholin-4-yl)butyl]adamantane-1-carboxamide
CID 16892600
benzyl (2S)-2-[(1S,2S)-2-[[(2S)-2-[(1S,2S)-2-[[(2S)-2-[(1S,2S)-2-[[2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]amino]cyclohexyl]butanoyl]amino]cyclohexyl]butanoyl]amino]cyclohexyl]butanoate
CID 132034321
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]adamantane-1-carboxamide
CID 22262185
4-benzyloxycarbonylamino-N-(4,4-difluorocyclohexyl)bicyclo[2.2.2]octane-1-carboxamide
CID 23150566
benzyl N-[(1R,3S)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-adamantyl]carbamate
CID 58325146
1-(1-Adamantyl)-3-[4-[(2-fluorophenyl)methoxy]cyclohexyl]urea
CID 59168749

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide (CID 16757061) is 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(OCc2c(F)cccc2F)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide?
The InChIKey is CQQVNVUNYDRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2NO2/c26-22-2-1-3-23(27)21(22)15-30-20-6-4-19(5-7-20)28-24(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h1-3,16-20H,4-15H2,(H,28,29).
What are the key properties of 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide?
2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]acetamide is sourced from PubChem (CID 16757061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).