(Z)-N-prop-2-enyloctadec-9-enamide

C21H39NO — CID 10805746

IUPAC(Z)-N-prop-2-enyloctadec-9-enamide
SMILESC=CCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4,11-12H,2-3,5-10,13-20H2,1H3,(H,22,23)/b12-11-
InChIKeyUAHKJTAJNWDPOC-QXMHVHEDSA-N
MW321.55 g/mol
LogP6.33
Rot. Bonds17

About (Z)-N-prop-2-enyloctadec-9-enamide

(Z)-N-prop-2-enyloctadec-9-enamide (PubChem CID 10805746) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is (Z)-N-prop-2-enyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-prop-2-enyloctadec-9-enamide
PubChem CID10805746
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name(Z)-N-prop-2-enyloctadec-9-enamide
SMILESC=CCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4,11-12H,2-3,5-10,13-20H2,1H3,(H,22,23)/b12-11-
InChIKeyUAHKJTAJNWDPOC-QXMHVHEDSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyloctanamide
CID 4071942
N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335

Frequently Asked Questions

What is the IUPAC name of (Z)-N-prop-2-enyloctadec-9-enamide?
The IUPAC name of (Z)-N-prop-2-enyloctadec-9-enamide (CID 10805746) is (Z)-N-prop-2-enyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-prop-2-enyloctadec-9-enamide?
The canonical SMILES for (Z)-N-prop-2-enyloctadec-9-enamide is C=CCNC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-prop-2-enyloctadec-9-enamide?
The InChIKey is UAHKJTAJNWDPOC-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4,11-12H,2-3,5-10,13-20H2,1H3,(H,22,23)/b12-11-.
What are the key properties of (Z)-N-prop-2-enyloctadec-9-enamide?
(Z)-N-prop-2-enyloctadec-9-enamide has a molecular weight of 321.55 g/mol, XLogP of 6.33, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-prop-2-enyloctadec-9-enamide is sourced from PubChem (CID 10805746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).