3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide

C14H19NO3 — CID 143833952

IUPAC3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide
SMILESCc1cccc(C(=O)NOC(C=O)CC(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(2)7-13(9-16)18-15-14(17)12-6-4-5-11(3)8-12/h4-6,8-10,13H,7H2,1-3H3,(H,15,17)
InChIKeyHZFIHZXYQJUMCY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.27
Rot. Bonds6

About 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide

3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide (PubChem CID 143833952) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide
PubChem CID143833952
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide
SMILESCc1cccc(C(=O)NOC(C=O)CC(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(2)7-13(9-16)18-15-14(17)12-6-4-5-11(3)8-12/h4-6,8-10,13H,7H2,1-3H3,(H,15,17)
InChIKeyHZFIHZXYQJUMCY-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
CID 142843740
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
CID 46613942
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide?
The IUPAC name of 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide (CID 143833952) is 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide is Cc1cccc(C(=O)NOC(C=O)CC(C)C)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide?
The InChIKey is HZFIHZXYQJUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)7-13(9-16)18-15-14(17)12-6-4-5-11(3)8-12/h4-6,8-10,13H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide?
3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide is sourced from PubChem (CID 143833952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).