(Z)-N,N-di(tetradecanoyl)octadec-9-enamide

C46H87NO3 — CID 175402772

IUPAC(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C46H87NO3/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-46(50)47(44(48)41-38-35-32-29-26-20-17-14-11-8-5-2)45(49)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24H,4-22,25-43H2,1-3H3/b24-23-
InChIKeyMUMLFNMNPNGTMK-VHXPQNKSSA-N
MW702.21 g/mol
LogP15.31
Rot. Bonds39

About (Z)-N,N-di(tetradecanoyl)octadec-9-enamide

(Z)-N,N-di(tetradecanoyl)octadec-9-enamide (PubChem CID 175402772) has the molecular formula C46H87NO3 and a molecular weight of 702.21 g/mol. Its IUPAC name is (Z)-N,N-di(tetradecanoyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
PubChem CID175402772
Molecular FormulaC46H87NO3
Molecular Weight702.21 g/mol
Exact Mass701.67
IUPAC Name(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C46H87NO3/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-46(50)47(44(48)41-38-35-32-29-26-20-17-14-11-8-5-2)45(49)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24H,4-22,25-43H2,1-3H3/b24-23-
InChIKeyMUMLFNMNPNGTMK-VHXPQNKSSA-N
XLogP15.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds39
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.21
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

10-[di(octadec-9-enoyl)amino]-10-oxodecanoic acid
CID 154082750
N-(2-bromoacetyl)-N-octadec-9-enoyloctadec-9-enamide
CID 173264268
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
CID 175574437
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
N,N-bis(2-hydroxyacetyl)tetradecanamide
CID 141047117
icos-8-enoic acid
CID 53436342
(E)-docos-13-enoic acid
CID 87103770

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-di(tetradecanoyl)octadec-9-enamide?
The IUPAC name of (Z)-N,N-di(tetradecanoyl)octadec-9-enamide (CID 175402772) is (Z)-N,N-di(tetradecanoyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N,N-di(tetradecanoyl)octadec-9-enamide?
The canonical SMILES for (Z)-N,N-di(tetradecanoyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC.
What is the InChIKey of (Z)-N,N-di(tetradecanoyl)octadec-9-enamide?
The InChIKey is MUMLFNMNPNGTMK-VHXPQNKSSA-N. The full InChI is InChI=1S/C46H87NO3/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40-43-46(50)47(44(48)41-38-35-32-29-26-20-17-14-11-8-5-2)45(49)42-39-36-33-30-27-21-18-15-12-9-6-3/h23-24H,4-22,25-43H2,1-3H3/b24-23-.
What are the key properties of (Z)-N,N-di(tetradecanoyl)octadec-9-enamide?
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide has a molecular weight of 702.21 g/mol, XLogP of 15.31, 39 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-di(tetradecanoyl)octadec-9-enamide is sourced from PubChem (CID 175402772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).