ethyl 2-(4-amino-3-ethoxyanilino)acetate

C12H18N2O3 — CID 63670664

IUPACethyl 2-(4-amino-3-ethoxyanilino)acetate
SMILESCCOC(=O)CNc1ccc(N)c(OCC)c1
InChIInChI=1S/C12H18N2O3/c1-3-16-11-7-9(5-6-10(11)13)14-8-12(15)17-4-2/h5-7,14H,3-4,8,13H2,1-2H3
InChIKeyMYPMBVFUKJTCIG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds6

About ethyl 2-(4-amino-3-ethoxyanilino)acetate

ethyl 2-(4-amino-3-ethoxyanilino)acetate (PubChem CID 63670664) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-ethoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-ethoxyanilino)acetate
PubChem CID63670664
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 2-(4-amino-3-ethoxyanilino)acetate
SMILESCCOC(=O)CNc1ccc(N)c(OCC)c1
InChIInChI=1S/C12H18N2O3/c1-3-16-11-7-9(5-6-10(11)13)14-8-12(15)17-4-2/h5-7,14H,3-4,8,13H2,1-2H3
InChIKeyMYPMBVFUKJTCIG-UHFFFAOYSA-N
XLogP1.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-ethoxyanilino)acetate?
The IUPAC name of ethyl 2-(4-amino-3-ethoxyanilino)acetate (CID 63670664) is ethyl 2-(4-amino-3-ethoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(4-amino-3-ethoxyanilino)acetate?
The canonical SMILES for ethyl 2-(4-amino-3-ethoxyanilino)acetate is CCOC(=O)CNc1ccc(N)c(OCC)c1.
What is the InChIKey of ethyl 2-(4-amino-3-ethoxyanilino)acetate?
The InChIKey is MYPMBVFUKJTCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-16-11-7-9(5-6-10(11)13)14-8-12(15)17-4-2/h5-7,14H,3-4,8,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-3-ethoxyanilino)acetate?
ethyl 2-(4-amino-3-ethoxyanilino)acetate has a molecular weight of 238.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-ethoxyanilino)acetate is sourced from PubChem (CID 63670664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).