N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide

C13H17NO2 — CID 59051843

IUPACN-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C13H17NO2/c1-10(13(2,3)9-15)14-12(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)
InChIKeyCCGAHIACHBUCDX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds4

About N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide

N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide (PubChem CID 59051843) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
PubChem CID59051843
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)(C)C=O
InChIInChI=1S/C13H17NO2/c1-10(13(2,3)9-15)14-12(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)
InChIKeyCCGAHIACHBUCDX-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-3,3-dimethylpentanoic acid
CID 70984333
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
CID 68891597
CID 68891597
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
CID 101120746
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide?
The IUPAC name of N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide (CID 59051843) is N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide is CC(NC(=O)c1ccccc1)C(C)(C)C=O.
What is the InChIKey of N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide?
The InChIKey is CCGAHIACHBUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(13(2,3)9-15)14-12(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16).
What are the key properties of N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide?
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide is sourced from PubChem (CID 59051843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).