2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate

C23H41NO3 — CID 134514748

IUPAC2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C23H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-20-21-27-23(26)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,24,25)/b12-11-
InChIKeyZUEPZXOVIHXMLX-QXMHVHEDSA-N
MW379.59 g/mol
LogP5.87
Rot. Bonds19

About 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate

2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate (PubChem CID 134514748) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate
PubChem CID134514748
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C23H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-20-21-27-23(26)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,24,25)/b12-11-
InChIKeyZUEPZXOVIHXMLX-QXMHVHEDSA-N
XLogP5.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
CID 132559697
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-tetradecyloctadec-9-enamide
CID 90860718
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate (CID 134514748) is 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate?
The InChIKey is ZUEPZXOVIHXMLX-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-20-21-27-23(26)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,24,25)/b12-11-.
What are the key properties of 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate?
2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate has a molecular weight of 379.59 g/mol, XLogP of 5.87, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 134514748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).