dodecyl 2-oxo-2-(propylamino)acetate

C17H33NO3 — CID 6420329

IUPACdodecyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C17H33NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h3-15H2,1-2H3,(H,18,19)
InChIKeyFEXHBALGYVQKJL-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.98
Rot. Bonds13

About dodecyl 2-oxo-2-(propylamino)acetate

dodecyl 2-oxo-2-(propylamino)acetate (PubChem CID 6420329) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is dodecyl 2-oxo-2-(propylamino)acetate.

Molecular Properties

Compound Namedodecyl 2-oxo-2-(propylamino)acetate
PubChem CID6420329
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Namedodecyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C17H33NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h3-15H2,1-2H3,(H,18,19)
InChIKeyFEXHBALGYVQKJL-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dodecyl 2-oxo-2-(propylamino)acetate 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 dodecyl 2-oxo-2-(propylamino)acetate?
The IUPAC name of dodecyl 2-oxo-2-(propylamino)acetate (CID 6420329) is dodecyl 2-oxo-2-(propylamino)acetate.
What is the SMILES notation for dodecyl 2-oxo-2-(propylamino)acetate?
The canonical SMILES for dodecyl 2-oxo-2-(propylamino)acetate is CCCCCCCCCCCCOC(=O)C(=O)NCCC.
What is the InChIKey of dodecyl 2-oxo-2-(propylamino)acetate?
The InChIKey is FEXHBALGYVQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-3-5-6-7-8-9-10-11-12-13-15-21-17(20)16(19)18-14-4-2/h3-15H2,1-2H3,(H,18,19).
What are the key properties of dodecyl 2-oxo-2-(propylamino)acetate?
dodecyl 2-oxo-2-(propylamino)acetate has a molecular weight of 299.46 g/mol, XLogP of 3.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-oxo-2-(propylamino)acetate is sourced from PubChem (CID 6420329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).