N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide

C21H26N2O — CID 59658247

IUPACN-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(C#N)c1
InChIInChI=1S/C21H26N2O/c1-21(2,18-5-3-4-13(11-18)12-22)20(24)23-19-16-7-14-6-15(9-16)10-17(19)8-14/h3-5,11,14-17,19H,6-10H2,1-2H3,(H,23,24)
InChIKeyGSOFQKOFVONIEN-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.78
Rot. Bonds3

About N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide

N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide (PubChem CID 59658247) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide
PubChem CID59658247
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(C#N)c1
InChIInChI=1S/C21H26N2O/c1-21(2,18-5-3-4-13(11-18)12-22)20(24)23-19-16-7-14-6-15(9-16)10-17(19)8-14/h3-5,11,14-17,19H,6-10H2,1-2H3,(H,23,24)
InChIKeyGSOFQKOFVONIEN-UHFFFAOYSA-N
XLogP3.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[1-(2-adamantylamino)-2-methyl-1-oxopropan-2-yl]phenyl]propanoic acid
CID 59658127
N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 59658227
N-(2-adamantyl)-2-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 59658233
2-(3-cyanophenyl)-2-methylpropanoic acid
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2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide
CID 109381254
2-(3-cyanophenyl)-2-methylbutanoyl chloride
CID 117047850
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
3-(2-methoxypropan-2-yl)benzonitrile
CID 89355982
2-(3-cyanophenyl)propan-2-ylphosphonic acid
CID 22677001
3-(2-sulfanylpropan-2-yl)benzonitrile
CID 91874176
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methyl-2-phenylpropanamide
CID 43594425

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide (CID 59658247) is N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide is CC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)c1cccc(C#N)c1.
What is the InChIKey of N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide?
The InChIKey is GSOFQKOFVONIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-21(2,18-5-3-4-13(11-18)12-22)20(24)23-19-16-7-14-6-15(9-16)10-17(19)8-14/h3-5,11,14-17,19H,6-10H2,1-2H3,(H,23,24).
What are the key properties of N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide?
N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide is sourced from PubChem (CID 59658247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).