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

C24H43NO3 — CID 87083461

IUPAC[[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)C(CC)CCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H43NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-2)23(26)25-28-24(27)21(3)4/h13-14,22H,3,5-12,15-20H2,1-2,4H3,(H,25,26)/b14-13-
InChIKeyPPJZAGVJKIEFFM-YPKPFQOOSA-N
MW393.61 g/mol
LogP6.81
Rot. Bonds17

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

[[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate (PubChem CID 87083461) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate
PubChem CID87083461
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Name[[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)C(CC)CCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H43NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-2)23(26)25-28-24(27)21(3)4/h13-14,22H,3,5-12,15-20H2,1-2,4H3,(H,25,26)/b14-13-
InChIKeyPPJZAGVJKIEFFM-YPKPFQOOSA-N
XLogP6.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.81
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

(2-ethyloctadeca-9,12,15-trienoylamino) 2-methylprop-2-enoate
CID 91064879
2-methylprop-2-enoyl (9Z,12Z)-2-ethyloctadeca-9,12-dienoate
CID 174621325
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
2-ethyloctadec-9-enamide
CID 160810733
2-ethyldocos-13-enamide
CID 173006662
sulfanyl (Z)-2-ethyloctadec-9-enoate
CID 175507443
dodecyl (Z)-2-octyloctadec-9-enoate
CID 11192280
octyl (Z)-2-dodecyloctadec-9-enoate
CID 154635313
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
methyl (Z)-2-propyloctadec-9-enoate
CID 174670601
2-octadec-9-enoxyethyl 2-methylprop-2-enoate
CID 90778770

Frequently Asked Questions

What is the IUPAC name of [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate?
The IUPAC name of [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate (CID 87083461) is [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate.
What is the SMILES notation for [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate?
The canonical SMILES for [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate is C=C(C)C(=O)ONC(=O)C(CC)CCCCCC/C=C\CCCCCCCC.
What is the InChIKey of [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate?
The InChIKey is PPJZAGVJKIEFFM-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H43NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-2)23(26)25-28-24(27)21(3)4/h13-14,22H,3,5-12,15-20H2,1-2,4H3,(H,25,26)/b14-13-.
What are the key properties of [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate?
[[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate has a molecular weight of 393.61 g/mol, XLogP of 6.81, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-2-ethyloctadec-9-enoyl]amino] 2-methylprop-2-enoate is sourced from PubChem (CID 87083461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).