methyl 3-(4-ethylanilino)butanoate

C13H19NO2 — CID 43536763

IUPACmethyl 3-(4-ethylanilino)butanoate
SMILESCCc1ccc(NC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)14-10(2)9-13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyIYUZXONWXPXGJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds5

About methyl 3-(4-ethylanilino)butanoate

methyl 3-(4-ethylanilino)butanoate (PubChem CID 43536763) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-(4-ethylanilino)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylanilino)butanoate
PubChem CID43536763
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-(4-ethylanilino)butanoate
SMILESCCc1ccc(NC(C)CC(=O)OC)cc1
InChIInChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)14-10(2)9-13(15)16-3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyIYUZXONWXPXGJZ-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-anilinobutanoate
CID 11333008
methyl 3-(4-ethylsulfonylanilino)butanoate
CID 114283860
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
methyl 3-(4-ethyl-3-methylanilino)butanoate
CID 113357607
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
methyl 3-(4-bromo-3-methylanilino)butanoate
CID 43536661
methyl 3-bromo-4-(4-ethylphenyl)butanoate
CID 82352038
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667
methyl 3-[4-bromo-3-(trifluoromethyl)anilino]butanoate
CID 64853587
ethyl 3-(4-propoxyanilino)butanoate
CID 62328151
methyl 3-(3-bromo-5-methylanilino)butanoate
CID 104938397
methyl 4-[(4-amino-4-sulfanylidenebutan-2-yl)amino]benzoate
CID 112508956

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylanilino)butanoate?
The IUPAC name of methyl 3-(4-ethylanilino)butanoate (CID 43536763) is methyl 3-(4-ethylanilino)butanoate.
What is the SMILES notation for methyl 3-(4-ethylanilino)butanoate?
The canonical SMILES for methyl 3-(4-ethylanilino)butanoate is CCc1ccc(NC(C)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-ethylanilino)butanoate?
The InChIKey is IYUZXONWXPXGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-5-7-12(8-6-11)14-10(2)9-13(15)16-3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of methyl 3-(4-ethylanilino)butanoate?
methyl 3-(4-ethylanilino)butanoate has a molecular weight of 221.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylanilino)butanoate is sourced from PubChem (CID 43536763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).