2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide

C21H29NO — CID 3951233

IUPAC2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO/c1-14(2)18-5-3-4-6-19(18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23)
InChIKeyHPUAJJLOHACPLO-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.36
Rot. Bonds4

About 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide

2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 3951233) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID3951233
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO/c1-14(2)18-5-3-4-6-19(18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23)
InChIKeyHPUAJJLOHACPLO-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
[2-oxo-2-(2-propan-2-ylanilino)ethyl] adamantane-2-carboxylate
CID 8518436
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
(2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanoic acid
CID 24895050
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide (CID 3951233) is 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is HPUAJJLOHACPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-14(2)18-5-3-4-6-19(18)22-20(23)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide?
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 311.47 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).