4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide

C23H28ClN3O3 — CID 43009828

IUPAC4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C23H28ClN3O3/c1-13(2)20(27-22(29)17-6-8-18(24)9-7-17)23(30)25-12-19(28)26-21-15(4)10-14(3)11-16(21)5/h6-11,13,20H,12H2,1-5H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyQMZQFVYOOOMKLJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.77
Rot. Bonds7

About 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide (PubChem CID 43009828) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide
PubChem CID43009828
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C23H28ClN3O3/c1-13(2)20(27-22(29)17-6-8-18(24)9-7-17)23(30)25-12-19(28)26-21-15(4)10-14(3)11-16(21)5/h6-11,13,20H,12H2,1-5H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyQMZQFVYOOOMKLJ-UHFFFAOYSA-N
XLogP3.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8008525
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305949
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 111429014
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[[2-oxo-2-(propylamino)ethyl]amino]pentan-2-yl]benzamide
CID 35352443
4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4827657
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide (CID 43009828) is 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)C(NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide?
The InChIKey is QMZQFVYOOOMKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-13(2)20(27-22(29)17-6-8-18(24)9-7-17)23(30)25-12-19(28)26-21-15(4)10-14(3)11-16(21)5/h6-11,13,20H,12H2,1-5H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 43009828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).