4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid

C14H19NO4 — CID 103496044

IUPAC4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCCOc1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-19-12-8-6-5-7-11(12)15-13(16)9(2)10(3)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBGJVIOILXQGNFD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.38
Rot. Bonds6

About 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid

4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496044) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496044
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCCOc1ccccc1NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-19-12-8-6-5-7-11(12)15-13(16)9(2)10(3)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBGJVIOILXQGNFD-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5116580
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid (CID 103496044) is 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid is CCOc1ccccc1NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is BGJVIOILXQGNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-12-8-6-5-7-11(12)15-13(16)9(2)10(3)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid?
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).