2-(tridecylamino)ethyl prop-2-enoate

C18H35NO2 — CID 141468520

IUPAC2-(tridecylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21-18(20)4-2/h4,19H,2-3,5-17H2,1H3
InChIKeyTXJDFKZVBSOING-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.62
Rot. Bonds16

About 2-(tridecylamino)ethyl prop-2-enoate

2-(tridecylamino)ethyl prop-2-enoate (PubChem CID 141468520) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-(tridecylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(tridecylamino)ethyl prop-2-enoate
PubChem CID141468520
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-(tridecylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCCCCCCCCCCCC
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21-18(20)4-2/h4,19H,2-3,5-17H2,1H3
InChIKeyTXJDFKZVBSOING-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(tridecylamino)ethyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of 2-(tridecylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(tridecylamino)ethyl prop-2-enoate (CID 141468520) is 2-(tridecylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(tridecylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(tridecylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCCCCCCCCCCCCC.
What is the InChIKey of 2-(tridecylamino)ethyl prop-2-enoate?
The InChIKey is TXJDFKZVBSOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21-18(20)4-2/h4,19H,2-3,5-17H2,1H3.
What are the key properties of 2-(tridecylamino)ethyl prop-2-enoate?
2-(tridecylamino)ethyl prop-2-enoate has a molecular weight of 297.48 g/mol, XLogP of 4.62, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tridecylamino)ethyl prop-2-enoate is sourced from PubChem (CID 141468520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).