2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide

C14H19NO3 — CID 64994334

IUPAC2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1ccc(C)cc1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12(16)8-15-14(17)11-7-10(3)5-6-13(11)18-4/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyCNBOVNLFBSAQES-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds5

About 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide

2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 64994334) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID64994334
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1ccc(C)cc1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)12(16)8-15-14(17)11-7-10(3)5-6-13(11)18-4/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyCNBOVNLFBSAQES-UHFFFAOYSA-N
XLogP1.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-[2-fluoro-2-(thian-4-ylidene)ethyl]-2-methoxy-5-methylbenzamide
CID 166390372
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide (CID 64994334) is 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide is COc1ccc(C)cc1C(=O)NCC(=O)C(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is CNBOVNLFBSAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)12(16)8-15-14(17)11-7-10(3)5-6-13(11)18-4/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide?
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 64994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).