acetic acid;N-propyloctadec-9-enamide

C23H45NO3 — CID 173298738

IUPACacetic acid;N-propyloctadec-9-enamide
SMILESCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H41NO.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2;1-2(3)4/h11-12H,3-10,13-20H2,1-2H3,(H,22,23);1H3,(H,3,4)
InChIKeyIVLVDKPOPJIVFM-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.64
Rot. Bonds17

About acetic acid;N-propyloctadec-9-enamide

acetic acid;N-propyloctadec-9-enamide (PubChem CID 173298738) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is acetic acid;N-propyloctadec-9-enamide.

Molecular Properties

Compound Nameacetic acid;N-propyloctadec-9-enamide
PubChem CID173298738
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Nameacetic acid;N-propyloctadec-9-enamide
SMILESCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H41NO.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2;1-2(3)4/h11-12H,3-10,13-20H2,1-2H3,(H,22,23);1H3,(H,3,4)
InChIKeyIVLVDKPOPJIVFM-UHFFFAOYSA-N
XLogP6.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[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-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
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(Z)-N-butyloctadec-9-enamide
CID 6436496

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-propyloctadec-9-enamide?
The IUPAC name of acetic acid;N-propyloctadec-9-enamide (CID 173298738) is acetic acid;N-propyloctadec-9-enamide.
What is the SMILES notation for acetic acid;N-propyloctadec-9-enamide?
The canonical SMILES for acetic acid;N-propyloctadec-9-enamide is CC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)NCCC.
What is the InChIKey of acetic acid;N-propyloctadec-9-enamide?
The InChIKey is IVLVDKPOPJIVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2;1-2(3)4/h11-12H,3-10,13-20H2,1-2H3,(H,22,23);1H3,(H,3,4).
What are the key properties of acetic acid;N-propyloctadec-9-enamide?
acetic acid;N-propyloctadec-9-enamide has a molecular weight of 383.62 g/mol, XLogP of 6.64, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-propyloctadec-9-enamide is sourced from PubChem (CID 173298738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).