2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide

C19H21NO3 — CID 78789436

IUPAC2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)14-10-8-13(9-11-14)16(21)12-23-17-7-5-4-6-15(17)18(20)22/h4-11H,12H2,1-3H3,(H2,20,22)
InChIKeyJSZZXUMDODLHNV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.34
Rot. Bonds5

About 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide

2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide (PubChem CID 78789436) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
PubChem CID78789436
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)14-10-8-13(9-11-14)16(21)12-23-17-7-5-4-6-15(17)18(20)22/h4-11H,12H2,1-3H3,(H2,20,22)
InChIKeyJSZZXUMDODLHNV-UHFFFAOYSA-N
XLogP3.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenacyloxybenzamide
CID 43218588
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473896
2-phenacyloxybenzoic acid
CID 23764826
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
CID 43231129
2-hydroxybenzamide;2-[2-(3-methoxyphenyl)-2-oxoethoxy]benzamide
CID 157146573
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473965
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide (CID 78789436) is 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide is CC(C)(C)c1ccc(C(=O)COc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide?
The InChIKey is JSZZXUMDODLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)14-10-8-13(9-11-14)16(21)12-23-17-7-5-4-6-15(17)18(20)22/h4-11H,12H2,1-3H3,(H2,20,22).
What are the key properties of 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide?
2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 78789436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).