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

C20H24N2O2 — CID 51148319

IUPAC3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccccc2C)C(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-17-11-6-5-9-15(17)4)22-19(23)16-10-7-8-14(3)12-16/h5-13,18H,1-4H3,(H,21,24)(H,22,23)
InChIKeyNXCROWGVCNRCJJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.70
Rot. Bonds5

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

3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 51148319) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID51148319
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccccc2C)C(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-17-11-6-5-9-15(17)4)22-19(23)16-10-7-8-14(3)12-16/h5-13,18H,1-4H3,(H,21,24)(H,22,23)
InChIKeyNXCROWGVCNRCJJ-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

N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
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CID 55335504
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[1-(2,5-dibromoanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55611381
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4797784
2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 119240343
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide (CID 51148319) is 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)Nc2ccccc2C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is NXCROWGVCNRCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)18(20(24)21-17-11-6-5-9-15(17)4)22-19(23)16-10-7-8-14(3)12-16/h5-13,18H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-(2-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 3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51148319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).