4-ethyl-N-(2-hydroperoxypropyl)benzamide

C12H17NO3 — CID 163559021

IUPAC4-ethyl-N-(2-hydroperoxypropyl)benzamide
SMILESCCc1ccc(C(=O)NCC(C)OO)cc1
InChIInChI=1S/C12H17NO3/c1-3-10-4-6-11(7-5-10)12(14)13-8-9(2)16-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyFPPCADMEEHPUQN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.86
Rot. Bonds5

About 4-ethyl-N-(2-hydroperoxypropyl)benzamide

4-ethyl-N-(2-hydroperoxypropyl)benzamide (PubChem CID 163559021) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroperoxypropyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroperoxypropyl)benzamide
PubChem CID163559021
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-ethyl-N-(2-hydroperoxypropyl)benzamide
SMILESCCc1ccc(C(=O)NCC(C)OO)cc1
InChIInChI=1S/C12H17NO3/c1-3-10-4-6-11(7-5-10)12(14)13-8-9(2)16-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyFPPCADMEEHPUQN-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
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

4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
CID 113477422
ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
propan-2-yl 4-ethylbenzoate
CID 583760
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroperoxypropyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-hydroperoxypropyl)benzamide (CID 163559021) is 4-ethyl-N-(2-hydroperoxypropyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroperoxypropyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroperoxypropyl)benzamide is CCc1ccc(C(=O)NCC(C)OO)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroperoxypropyl)benzamide?
The InChIKey is FPPCADMEEHPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-10-4-6-11(7-5-10)12(14)13-8-9(2)16-15/h4-7,9,15H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(2-hydroperoxypropyl)benzamide?
4-ethyl-N-(2-hydroperoxypropyl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroperoxypropyl)benzamide is sourced from PubChem (CID 163559021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).