[2-methyl-2-(octylamino)propyl] prop-2-enoate

C15H29NO2 — CID 89156763

IUPAC[2-methyl-2-(octylamino)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)NCCCCCCCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-16-15(3,4)13-18-14(17)6-2/h6,16H,2,5,7-13H2,1,3-4H3
InChIKeyFTNAXEIOSFXYLP-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.44
Rot. Bonds11

About [2-methyl-2-(octylamino)propyl] prop-2-enoate

[2-methyl-2-(octylamino)propyl] prop-2-enoate (PubChem CID 89156763) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [2-methyl-2-(octylamino)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(octylamino)propyl] prop-2-enoate
PubChem CID89156763
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[2-methyl-2-(octylamino)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)NCCCCCCCC
InChIInChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-16-15(3,4)13-18-14(17)6-2/h6,16H,2,5,7-13H2,1,3-4H3
InChIKeyFTNAXEIOSFXYLP-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.44
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-methyl-2-(octylamino)propyl] 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

(2-ethyl-2-methyloctyl) prop-2-enoate
CID 129132567
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
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

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(octylamino)propyl] prop-2-enoate?
The IUPAC name of [2-methyl-2-(octylamino)propyl] prop-2-enoate (CID 89156763) is [2-methyl-2-(octylamino)propyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-2-(octylamino)propyl] prop-2-enoate?
The canonical SMILES for [2-methyl-2-(octylamino)propyl] prop-2-enoate is C=CC(=O)OCC(C)(C)NCCCCCCCC.
What is the InChIKey of [2-methyl-2-(octylamino)propyl] prop-2-enoate?
The InChIKey is FTNAXEIOSFXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-7-8-9-10-11-12-16-15(3,4)13-18-14(17)6-2/h6,16H,2,5,7-13H2,1,3-4H3.
What are the key properties of [2-methyl-2-(octylamino)propyl] prop-2-enoate?
[2-methyl-2-(octylamino)propyl] prop-2-enoate has a molecular weight of 255.40 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(octylamino)propyl] prop-2-enoate is sourced from PubChem (CID 89156763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).