2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide

C14H19NO2 — CID 10059880

IUPAC2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)(C)NC(=O)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-5-12(16)14(3,4)15-13(17)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyVPNLVOFHLOTSGI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide

2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide (PubChem CID 10059880) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide
PubChem CID10059880
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)(C)NC(=O)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-5-12(16)14(3,4)15-13(17)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyVPNLVOFHLOTSGI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide (CID 10059880) is 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide is CCC(=O)C(C)(C)NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide?
The InChIKey is VPNLVOFHLOTSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-12(16)14(3,4)15-13(17)11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide?
2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 10059880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).