2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

C20H24N2O2 — CID 51149358

IUPAC2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-16-11-9-14(3)10-12-16)22-19(23)17-8-6-5-7-15(17)4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)
InChIKeyFAZPHIOYVGDPAH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 51149358) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID51149358
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-16-11-9-14(3)10-12-16)22-19(23)17-8-6-5-7-15(17)4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)
InChIKeyFAZPHIOYVGDPAH-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
N-[1-[4-(2-methoxyethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55658200
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46421831
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 26194169
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 2582323
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51147223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (CID 51149358) is 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is Cc1ccc(NC(=O)C(NC(=O)c2ccccc2C)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is FAZPHIOYVGDPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-16-11-9-14(3)10-12-16)22-19(23)17-8-6-5-7-15(17)4/h5-13,18H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51149358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).