ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate

C15H22N2O3 — CID 174372442

IUPACethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate
SMILESCCOC(=O)C(C)N(C(C)=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-6-20-15(19)11(2)17(12(3)18)14-9-7-8-13(10-14)16(4)5/h7-11H,6H2,1-5H3
InChIKeyHYRBARZOKVTTOK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds5

About ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate

ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate (PubChem CID 174372442) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate
PubChem CID174372442
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate
SMILESCCOC(=O)C(C)N(C(C)=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-6-20-15(19)11(2)17(12(3)18)14-9-7-8-13(10-14)16(4)5/h7-11H,6H2,1-5H3
InChIKeyHYRBARZOKVTTOK-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate?
The IUPAC name of ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate (CID 174372442) is ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate.
What is the SMILES notation for ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate?
The canonical SMILES for ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate is CCOC(=O)C(C)N(C(C)=O)c1cccc(N(C)C)c1.
What is the InChIKey of ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate?
The InChIKey is HYRBARZOKVTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-20-15(19)11(2)17(12(3)18)14-9-7-8-13(10-14)16(4)5/h7-11H,6H2,1-5H3.
What are the key properties of ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate?
ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-acetyl-3-(dimethylamino)anilino]propanoate is sourced from PubChem (CID 174372442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).