2-(octoxycarbonylamino)ethyl prop-2-enoate

C14H25NO4 — CID 101151020

IUPAC2-(octoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCCCCCCC
InChIInChI=1S/C14H25NO4/c1-3-5-6-7-8-9-11-19-14(17)15-10-12-18-13(16)4-2/h4H,2-3,5-12H2,1H3,(H,15,17)
InChIKeyAEJPYJMCEGFOHJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds11

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

2-(octoxycarbonylamino)ethyl prop-2-enoate (PubChem CID 101151020) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(octoxycarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(octoxycarbonylamino)ethyl prop-2-enoate
PubChem CID101151020
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(octoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OCCCCCCCC
InChIInChI=1S/C14H25NO4/c1-3-5-6-7-8-9-11-19-14(17)15-10-12-18-13(16)4-2/h4H,2-3,5-12H2,1H3,(H,15,17)
InChIKeyAEJPYJMCEGFOHJ-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
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-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of 2-(octoxycarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(octoxycarbonylamino)ethyl prop-2-enoate (CID 101151020) is 2-(octoxycarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(octoxycarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(octoxycarbonylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OCCCCCCCC.
What is the InChIKey of 2-(octoxycarbonylamino)ethyl prop-2-enoate?
The InChIKey is AEJPYJMCEGFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-5-6-7-8-9-11-19-14(17)15-10-12-18-13(16)4-2/h4H,2-3,5-12H2,1H3,(H,15,17).
What are the key properties of 2-(octoxycarbonylamino)ethyl prop-2-enoate?
2-(octoxycarbonylamino)ethyl prop-2-enoate has a molecular weight of 271.36 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octoxycarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 101151020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).