N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

C22H29N3O2 — CID 9339495

IUPACN-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H29N3O2/c1-6-18-8-7-9-19(12-18)23-20(26)13-25(5)14-21(27)24-22-16(3)10-15(2)11-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyXXPFSVXAPUOSGT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.68
Rot. Bonds7

About N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (PubChem CID 9339495) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
PubChem CID9339495
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H29N3O2/c1-6-18-8-7-9-19(12-18)23-20(26)13-25(5)14-21(27)24-22-16(3)10-15(2)11-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyXXPFSVXAPUOSGT-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (CID 9339495) is N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is CCc1cccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The InChIKey is XXPFSVXAPUOSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-18-8-7-9-19(12-18)23-20(26)13-25(5)14-21(27)24-22-16(3)10-15(2)11-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 9339495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).