N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide

C18H21NO3 — CID 135074317

IUPACN-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1OOCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)17(20)19-15-11-7-8-12-16(15)22-21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyZNVKXQRQBBDLJX-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.18
Rot. Bonds5

About N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide

N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 135074317) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide
PubChem CID135074317
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1OOCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)17(20)19-15-11-7-8-12-16(15)22-21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyZNVKXQRQBBDLJX-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]phenyl]propanamide
CID 54835482
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316
benzyl [2,3-dichloro-4-(2,2-dimethylpropanoylamino)phenyl] carbonate
CID 15240296
2-(2,2-dimethylpropanoylamino)-4-fluoro-6-phenylmethoxybenzoic acid
CID 90117385
2,2-dimethyl-N-[2-tri(propan-2-yl)silyloxyphenyl]propanamide
CID 24778389
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide (CID 135074317) is N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1OOCc1ccccc1.
What is the InChIKey of N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is ZNVKXQRQBBDLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)17(20)19-15-11-7-8-12-16(15)22-21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20).
What are the key properties of N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide?
N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylperoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 135074317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).