2-ethylbutyl 2-anilinoacetate

C14H21NO2 — CID 114208440

IUPAC2-ethylbutyl 2-anilinoacetate
SMILESCCC(CC)COC(=O)CNc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(4-2)11-17-14(16)10-15-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyJIUPYNVHTHBWQD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.08
Rot. Bonds7

About 2-ethylbutyl 2-anilinoacetate

2-ethylbutyl 2-anilinoacetate (PubChem CID 114208440) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethylbutyl 2-anilinoacetate.

Molecular Properties

Compound Name2-ethylbutyl 2-anilinoacetate
PubChem CID114208440
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethylbutyl 2-anilinoacetate
SMILESCCC(CC)COC(=O)CNc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(4-2)11-17-14(16)10-15-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
InChIKeyJIUPYNVHTHBWQD-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylbutyl 2-anilinoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptyl 2-anilinoacetate
CID 61302862
bis(2-ethylbutyl) 2,5-diphenylhexanedioate
CID 518262
2-(2-anilinoacetyl)oxyethanesulfonic acid
CID 129061862
1-O-(2-anilinoacetyl) 4-O-methyl (2S)-2-aminobutanedioate
CID 57220161
2-anilinoacetic acid;hydrazine
CID 67393863
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
bis(2-ethylbutyl) butanedioate
CID 87567542
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
2-ethylbutyl (2R)-2-amino-3-phenylpropanoate
CID 114208438
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 2-anilinoacetate?
The IUPAC name of 2-ethylbutyl 2-anilinoacetate (CID 114208440) is 2-ethylbutyl 2-anilinoacetate.
What is the SMILES notation for 2-ethylbutyl 2-anilinoacetate?
The canonical SMILES for 2-ethylbutyl 2-anilinoacetate is CCC(CC)COC(=O)CNc1ccccc1.
What is the InChIKey of 2-ethylbutyl 2-anilinoacetate?
The InChIKey is JIUPYNVHTHBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-12(4-2)11-17-14(16)10-15-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3.
What are the key properties of 2-ethylbutyl 2-anilinoacetate?
2-ethylbutyl 2-anilinoacetate has a molecular weight of 235.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 2-anilinoacetate is sourced from PubChem (CID 114208440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).