2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide

C24H33N3O2 — CID 42911688

IUPAC2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-14-9-16(3)22(17(4)10-14)25-21(28)13-27(8)20(7)24(29)26-23-18(5)11-15(2)12-19(23)6/h9-12,20H,13H2,1-8H3,(H,25,28)(H,26,29)
InChIKeyLVVQITUMFNAXBN-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.43
Rot. Bonds6

About 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 42911688) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID42911688
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-14-9-16(3)22(17(4)10-14)25-21(28)13-27(8)20(7)24(29)26-23-18(5)11-15(2)12-19(23)6/h9-12,20H,13H2,1-8H3,(H,25,28)(H,26,29)
InChIKeyLVVQITUMFNAXBN-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8621914
2-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622785

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide (CID 42911688) is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is LVVQITUMFNAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-14-9-16(3)22(17(4)10-14)25-21(28)13-27(8)20(7)24(29)26-23-18(5)11-15(2)12-19(23)6/h9-12,20H,13H2,1-8H3,(H,25,28)(H,26,29).
What are the key properties of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide?
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 42911688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).