N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

C24H33N3O2 — CID 9339207

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H33N3O2/c1-7-17(3)20-8-10-21(11-9-20)25-22(28)14-27(6)15-23(29)26-24-18(4)12-16(2)13-19(24)5/h8-13,17H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyJFRQJTUBGLXVIR-KRWDZBQOSA-N
MW395.55 g/mol
LogP4.63
Rot. Bonds8

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (PubChem CID 9339207) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
PubChem CID9339207
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H33N3O2/c1-7-17(3)20-8-10-21(11-9-20)25-22(28)14-27(6)15-23(29)26-24-18(4)12-16(2)13-19(24)5/h8-13,17H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyJFRQJTUBGLXVIR-KRWDZBQOSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339495
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (CID 9339207) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is CC[C@H](C)c1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The InChIKey is JFRQJTUBGLXVIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-7-17(3)20-8-10-21(11-9-20)25-22(28)14-27(6)15-23(29)26-24-18(4)12-16(2)13-19(24)5/h8-13,17H,7,14-15H2,1-6H3,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 9339207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).