3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid

C17H25NO3 — CID 82321106

IUPAC3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
SMILESCc1cccc(N(CC(C)C(=O)O)C(=O)C(C)(C)C)c1C
InChIInChI=1S/C17H25NO3/c1-11-8-7-9-14(13(11)3)18(10-12(2)15(19)20)16(21)17(4,5)6/h7-9,12H,10H2,1-6H3,(H,19,20)
InChIKeyMVYVYKWTYQSNLJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds4

About 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid

3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid (PubChem CID 82321106) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
PubChem CID82321106
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
SMILESCc1cccc(N(CC(C)C(=O)O)C(=O)C(C)(C)C)c1C
InChIInChI=1S/C17H25NO3/c1-11-8-7-9-14(13(11)3)18(10-12(2)15(19)20)16(21)17(4,5)6/h7-9,12H,10H2,1-6H3,(H,19,20)
InChIKeyMVYVYKWTYQSNLJ-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-(2,2-dimethylpropanoyl)-2-methylanilino]-2-methylpropanoic acid
CID 82321121
3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid
CID 82321815
3-[N-(2,2-dimethylpropanoyl)-4-fluoroanilino]-2-methylpropanoic acid
CID 82321113
3-(2-ethyl-6-methyl-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320927
2-methyl-3-(N-(2-methylbenzoyl)anilino)propanoic acid
CID 82321588
(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
CID 851678
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
3-[N-(1-carboxyethyl)-3-chloro-2-methylanilino]-2-methylpropanoic acid
CID 82317224
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
3-(N-heptyl-2,6-dimethylanilino)-2-methylpropanoic acid
CID 82319077
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
CID 135077934
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid?
The IUPAC name of 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid (CID 82321106) is 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid?
The canonical SMILES for 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid is Cc1cccc(N(CC(C)C(=O)O)C(=O)C(C)(C)C)c1C.
What is the InChIKey of 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid?
The InChIKey is MVYVYKWTYQSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-8-7-9-14(13(11)3)18(10-12(2)15(19)20)16(21)17(4,5)6/h7-9,12H,10H2,1-6H3,(H,19,20).
What are the key properties of 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid?
3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid is sourced from PubChem (CID 82321106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).