2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide

C14H19NO2 — CID 64997381

IUPAC2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H19NO2/c1-5-13(16)11(4)15-14(17)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,17)
InChIKeyDGSBHXUGSACPGQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds4

About 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide

2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide (PubChem CID 64997381) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
PubChem CID64997381
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H19NO2/c1-5-13(16)11(4)15-14(17)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,17)
InChIKeyDGSBHXUGSACPGQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
N-(1-bromo-4-methylpentan-2-yl)-2,5-dimethylbenzamide
CID 113274960
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide (CID 64997381) is 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide is CCC(=O)C(C)NC(=O)c1cc(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide?
The InChIKey is DGSBHXUGSACPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-13(16)11(4)15-14(17)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,17).
What are the key properties of 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide?
2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 64997381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).