ethyl 2-(4-ethoxy-3-methylanilino)acetate

C13H19NO3 — CID 115257196

IUPACethyl 2-(4-ethoxy-3-methylanilino)acetate
SMILESCCOC(=O)CNc1ccc(OCC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-12-7-6-11(8-10(12)3)14-9-13(15)17-5-2/h6-8,14H,4-5,9H2,1-3H3
InChIKeyOUGUCCFZHFDYKR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.37
Rot. Bonds6

About ethyl 2-(4-ethoxy-3-methylanilino)acetate

ethyl 2-(4-ethoxy-3-methylanilino)acetate (PubChem CID 115257196) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(4-ethoxy-3-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxy-3-methylanilino)acetate
PubChem CID115257196
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-(4-ethoxy-3-methylanilino)acetate
SMILESCCOC(=O)CNc1ccc(OCC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-12-7-6-11(8-10(12)3)14-9-13(15)17-5-2/h6-8,14H,4-5,9H2,1-3H3
InChIKeyOUGUCCFZHFDYKR-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
4-(4-ethoxy-3-methylanilino)-3-methylbutanoic acid
CID 115219712
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxy-3-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-ethoxy-3-methylanilino)acetate (CID 115257196) is ethyl 2-(4-ethoxy-3-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-ethoxy-3-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-ethoxy-3-methylanilino)acetate is CCOC(=O)CNc1ccc(OCC)c(C)c1.
What is the InChIKey of ethyl 2-(4-ethoxy-3-methylanilino)acetate?
The InChIKey is OUGUCCFZHFDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-12-7-6-11(8-10(12)3)14-9-13(15)17-5-2/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(4-ethoxy-3-methylanilino)acetate?
ethyl 2-(4-ethoxy-3-methylanilino)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxy-3-methylanilino)acetate is sourced from PubChem (CID 115257196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).