N-(3,3-dimethyl-2-oxobutanoyl)benzamide

C13H15NO3 — CID 132515762

IUPACN-(3,3-dimethyl-2-oxobutanoyl)benzamide
SMILESCC(C)(C)C(=O)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-13(2,3)10(15)12(17)14-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWEESKNFJVGUKON-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds2

About N-(3,3-dimethyl-2-oxobutanoyl)benzamide

N-(3,3-dimethyl-2-oxobutanoyl)benzamide (PubChem CID 132515762) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutanoyl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutanoyl)benzamide
PubChem CID132515762
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(3,3-dimethyl-2-oxobutanoyl)benzamide
SMILESCC(C)(C)C(=O)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-13(2,3)10(15)12(17)14-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWEESKNFJVGUKON-UHFFFAOYSA-N
XLogP1.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-methylbenzamide
CID 11954
4,4-dimethyl-1-phenylpentane-1,2,3-trione
CID 13494400
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
methyl 3-benzamido-3-oxopropanoate
CID 11345054
N-carbamoylbenzamide;urea
CID 157303801
CID 66812751
CID 66812751
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-(2-cyano-3,3-dimethylbutanoyl)benzamide
CID 13449411

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutanoyl)benzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutanoyl)benzamide (CID 132515762) is N-(3,3-dimethyl-2-oxobutanoyl)benzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutanoyl)benzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutanoyl)benzamide is CC(C)(C)C(=O)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutanoyl)benzamide?
The InChIKey is WEESKNFJVGUKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,3)10(15)12(17)14-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of N-(3,3-dimethyl-2-oxobutanoyl)benzamide?
N-(3,3-dimethyl-2-oxobutanoyl)benzamide has a molecular weight of 233.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutanoyl)benzamide is sourced from PubChem (CID 132515762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).