N-(tert-butylperoxymethyl)benzamide

C12H17NO3 — CID 121008578

IUPACN-(tert-butylperoxymethyl)benzamide
SMILESCC(C)(C)OOCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-15-9-13-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyBGNSGSFBGBOHPQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.12
Rot. Bonds4

About N-(tert-butylperoxymethyl)benzamide

N-(tert-butylperoxymethyl)benzamide (PubChem CID 121008578) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(tert-butylperoxymethyl)benzamide.

Molecular Properties

Compound NameN-(tert-butylperoxymethyl)benzamide
PubChem CID121008578
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(tert-butylperoxymethyl)benzamide
SMILESCC(C)(C)OOCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-15-9-13-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeyBGNSGSFBGBOHPQ-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
2-[(2-benzamidoacetyl)amino]-2-methylpropanoic acid
CID 61262989
CID 70569018
CID 70569018
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylperoxymethyl)benzamide?
The IUPAC name of N-(tert-butylperoxymethyl)benzamide (CID 121008578) is N-(tert-butylperoxymethyl)benzamide.
What is the SMILES notation for N-(tert-butylperoxymethyl)benzamide?
The canonical SMILES for N-(tert-butylperoxymethyl)benzamide is CC(C)(C)OOCNC(=O)c1ccccc1.
What is the InChIKey of N-(tert-butylperoxymethyl)benzamide?
The InChIKey is BGNSGSFBGBOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)16-15-9-13-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of N-(tert-butylperoxymethyl)benzamide?
N-(tert-butylperoxymethyl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylperoxymethyl)benzamide is sourced from PubChem (CID 121008578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).