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

C24H43NO3 — CID 132559697

IUPAC2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-20-21-28-24(27)22(2)3/h11-12H,2,4-10,13-21H2,1,3H3,(H,25,26)/b12-11-
InChIKeySMUDRRVSYHQMRA-QXMHVHEDSA-N
MW393.61 g/mol
LogP6.26
Rot. Bonds19

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

2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 132559697) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID132559697
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Name2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-20-21-28-24(27)22(2)3/h11-12H,2,4-10,13-21H2,1,3H3,(H,25,26)/b12-11-
InChIKeySMUDRRVSYHQMRA-QXMHVHEDSA-N
XLogP6.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.26
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'}

Analyze 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[[(E)-12-(2-methylprop-2-enoyloxy)octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
CID 102166829
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate
CID 134514748
[(Z)-19-oxotetratriacont-9-enyl] 2-methylprop-2-enoate
CID 141330301
2-(carbamoylamino)ethyl (Z)-2-methylidenehenicos-12-enoate
CID 88523460
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate (CID 132559697) is 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is SMUDRRVSYHQMRA-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-20-21-28-24(27)22(2)3/h11-12H,2,4-10,13-21H2,1,3H3,(H,25,26)/b12-11-.
What are the key properties of 2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 393.61 g/mol, XLogP of 6.26, 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 2-methylprop-2-enoate is sourced from PubChem (CID 132559697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).