N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

C23H32N2O3 — CID 42942168

IUPACN-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O3/c1-21(2,3)20(27)25-18-6-4-5-17(8-18)24-19(26)13-22-9-15-7-16(10-22)12-23(28,11-15)14-22/h4-6,8,15-16,28H,7,9-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIWLFKASYNPUWSE-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.33
Rot. Bonds4

About N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 42942168) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID42942168
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O3/c1-21(2,3)20(27)25-18-6-4-5-17(8-18)24-19(26)13-22-9-15-7-16(10-22)12-23(28,11-15)14-22/h4-6,8,15-16,28H,7,9-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIWLFKASYNPUWSE-UHFFFAOYSA-N
XLogP4.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 102554342
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 37365014
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
CID 154930175

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 42942168) is N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)c1.
What is the InChIKey of N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is IWLFKASYNPUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-21(2,3)20(27)25-18-6-4-5-17(8-18)24-19(26)13-22-9-15-7-16(10-22)12-23(28,11-15)14-22/h4-6,8,15-16,28H,7,9-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 384.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42942168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).