2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide

C18H29N3O2 — CID 9222192

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)NCCC(C)C
InChIInChI=1S/C18H29N3O2/c1-13(2)9-10-19-16(22)11-21(5)12-17(23)20-18-14(3)7-6-8-15(18)4/h6-8,13H,9-12H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyUWAYTEYNEYNYHS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.34
Rot. Bonds8

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 9222192) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
PubChem CID9222192
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)NCCC(C)C
InChIInChI=1S/C18H29N3O2/c1-13(2)9-10-19-16(22)11-21(5)12-17(23)20-18-14(3)7-6-8-15(18)4/h6-8,13H,9-12H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyUWAYTEYNEYNYHS-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793859
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
CID 18005848
N-(2,6-dimethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 17462930
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
N-(2,6-dimethylphenyl)-2-[[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9221920
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide (CID 9222192) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NCCC(C)C.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is UWAYTEYNEYNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)9-10-19-16(22)11-21(5)12-17(23)20-18-14(3)7-6-8-15(18)4/h6-8,13H,9-12H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 9222192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).