methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate

C13H19N3O3 — CID 129215644

IUPACmethyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate
SMILESCCN(CC(=O)OC)c1ccc(N)c(NC(C)=O)c1
InChIInChI=1S/C13H19N3O3/c1-4-16(8-13(18)19-3)10-5-6-11(14)12(7-10)15-9(2)17/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeySFBNDZBWEMSJLD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate

methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate (PubChem CID 129215644) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate
PubChem CID129215644
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate
SMILESCCN(CC(=O)OC)c1ccc(N)c(NC(C)=O)c1
InChIInChI=1S/C13H19N3O3/c1-4-16(8-13(18)19-3)10-5-6-11(14)12(7-10)15-9(2)17/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeySFBNDZBWEMSJLD-UHFFFAOYSA-N
XLogP1.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate?
The IUPAC name of methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate (CID 129215644) is methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate.
What is the SMILES notation for methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate?
The canonical SMILES for methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate is CCN(CC(=O)OC)c1ccc(N)c(NC(C)=O)c1.
What is the InChIKey of methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate?
The InChIKey is SFBNDZBWEMSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16(8-13(18)19-3)10-5-6-11(14)12(7-10)15-9(2)17/h5-7H,4,8,14H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate?
methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate is sourced from PubChem (CID 129215644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).