2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide

C26H35FN2O2 — CID 24947420

IUPAC2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C26H35FN2O2/c27-22-5-3-17(4-6-22)16-28-23(30)14-26(7-1-2-8-26)15-24(31)29-25-20-10-18-9-19(12-20)13-21(25)11-18/h3-6,18-21,25H,1-2,7-16H2,(H,28,30)(H,29,31)
InChIKeyJMIIKDVKBSQZMA-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.72
Rot. Bonds7

About 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 24947420) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID24947420
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C26H35FN2O2/c27-22-5-3-17(4-6-22)16-28-23(30)14-26(7-1-2-8-26)15-24(31)29-25-20-10-18-9-19(12-20)13-21(25)11-18/h3-6,18-21,25H,1-2,7-16H2,(H,28,30)(H,29,31)
InChIKeyJMIIKDVKBSQZMA-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
N-2-adamantyl-3-phenylpropanamide
CID 874886
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
adamantanyl-N-(1-carbamoyl-2-phenylethyl)carboxamide
CID 2973493
N-benzyladamantane-1-carboxamide
CID 3826889
(S)-N-(1-(2-(4-fluorophenyl)ethyl)pyrrolidin-3-yl)-1-adamantanecarboxamide
CID 9885726
N-[1-[2-(2-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411797
N-[1-[2-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411801
N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide
CID 18411849
N-Adamantan-2-yl-2-{1-[(4-fluoro-phenylcarbamoyl)-methyl]-cyclopentyl}-acetamide
CID 24947416
N-(1-benzylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
CID 51109926
(2R)-1-[(2S)-2-acetamido-3-(4-fluorophenyl)propanoyl]-N-(2-adamantyl)pyrrolidine-2-carboxamide
CID 129246036

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 24947420) is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is JMIIKDVKBSQZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2/c27-22-5-3-17(4-6-22)16-28-23(30)14-26(7-1-2-8-26)15-24(31)29-25-20-10-18-9-19(12-20)13-21(25)11-18/h3-6,18-21,25H,1-2,7-16H2,(H,28,30)(H,29,31).
What are the key properties of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 426.58 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 24947420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).