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

C22H28N2O2 — CID 112762442

IUPAC3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)NC(C)c2ccccc2C)C(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)20(24-21(25)18-11-8-9-15(3)13-18)22(26)23-17(5)19-12-7-6-10-16(19)4/h6-14,17,20H,1-5H3,(H,23,26)(H,24,25)
InChIKeyMGOJXNLJFYTPMF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.94
Rot. Bonds6

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

3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 112762442) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
PubChem CID112762442
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)NC(C)c2ccccc2C)C(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)20(24-21(25)18-11-8-9-15(3)13-18)22(26)23-17(5)19-12-7-6-10-16(19)4/h6-14,17,20H,1-5H3,(H,23,26)(H,24,25)
InChIKeyMGOJXNLJFYTPMF-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55580663
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide (CID 112762442) is 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)NC(C)c2ccccc2C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is MGOJXNLJFYTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)20(24-21(25)18-11-8-9-15(3)13-18)22(26)23-17(5)19-12-7-6-10-16(19)4/h6-14,17,20H,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.94, 6 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-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 112762442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).