2-(4-ethoxyanilino)-2-ethylbutanoic acid

C14H21NO3 — CID 71564804

IUPAC2-(4-ethoxyanilino)-2-ethylbutanoic acid
SMILESCCOc1ccc(NC(CC)(CC)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-4-14(5-2,13(16)17)15-11-7-9-12(10-8-11)18-6-3/h7-10,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyMFISMKDLZPQMRG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds7

About 2-(4-ethoxyanilino)-2-ethylbutanoic acid

2-(4-ethoxyanilino)-2-ethylbutanoic acid (PubChem CID 71564804) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-2-ethylbutanoic acid
PubChem CID71564804
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-ethoxyanilino)-2-ethylbutanoic acid
SMILESCCOc1ccc(NC(CC)(CC)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-4-14(5-2,13(16)17)15-11-7-9-12(10-8-11)18-6-3/h7-10,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyMFISMKDLZPQMRG-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyanilino)-2-ethylbutanoic acid 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

4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
(4-ethoxyanilino) acetate
CID 71333792
(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
1-(4-ethoxyanilino)-2-methylbutan-2-ol
CID 114492504
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
2-ethyl-2-(2-phenoxyethylamino)butanoic acid
CID 78974687
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-2-ethylbutanoic acid?
The IUPAC name of 2-(4-ethoxyanilino)-2-ethylbutanoic acid (CID 71564804) is 2-(4-ethoxyanilino)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(4-ethoxyanilino)-2-ethylbutanoic acid?
The canonical SMILES for 2-(4-ethoxyanilino)-2-ethylbutanoic acid is CCOc1ccc(NC(CC)(CC)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-2-ethylbutanoic acid?
The InChIKey is MFISMKDLZPQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-14(5-2,13(16)17)15-11-7-9-12(10-8-11)18-6-3/h7-10,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-ethoxyanilino)-2-ethylbutanoic acid?
2-(4-ethoxyanilino)-2-ethylbutanoic acid has a molecular weight of 251.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-2-ethylbutanoic acid is sourced from PubChem (CID 71564804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).