N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide

C20H27NO2 — CID 101098215

IUPACN-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide
SMILESCC12CC3CC(C)(CC(C1)C3NC(=O)C(O)c1ccccc1)C2
InChIInChI=1S/C20H27NO2/c1-19-8-14-10-20(2,12-19)11-15(9-19)16(14)21-18(23)17(22)13-6-4-3-5-7-13/h3-7,14-17,22H,8-12H2,1-2H3,(H,21,23)
InChIKeyFWFQKNKNHKOSLJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.44
Rot. Bonds3

About N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide

N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide (PubChem CID 101098215) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide
PubChem CID101098215
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide
SMILESCC12CC3CC(C)(CC(C1)C3NC(=O)C(O)c1ccccc1)C2
InChIInChI=1S/C20H27NO2/c1-19-8-14-10-20(2,12-19)11-15(9-19)16(14)21-18(23)17(22)13-6-4-3-5-7-13/h3-7,14-17,22H,8-12H2,1-2H3,(H,21,23)
InChIKeyFWFQKNKNHKOSLJ-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-2-phenylacetamide
CID 79711250
(2S,4S,6S,7S)-7-[(2-hydroxy-2-phenylacetyl)amino]-4-methyl-8-oxo-5-thia-1-azatricyclo[4.2.0.02,4]octane-2-carboxylic acid
CID 57113023
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 97237159
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 100873540
trans-(1R,3R)-N-cyclopropyl-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 124739605
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(2-aminocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54905053
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
2-hydroxy-N',N'-dimethyl-2-phenylacetohydrazide
CID 11298492

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide (CID 101098215) is N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide is CC12CC3CC(C)(CC(C1)C3NC(=O)C(O)c1ccccc1)C2.
What is the InChIKey of N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is FWFQKNKNHKOSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-19-8-14-10-20(2,12-19)11-15(9-19)16(14)21-18(23)17(22)13-6-4-3-5-7-13/h3-7,14-17,22H,8-12H2,1-2H3,(H,21,23).
What are the key properties of N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide?
N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 313.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-2-adamantyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 101098215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).