(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide

C26H43NO2 — CID 73346080

IUPAC(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
InChIKeyZMKZIKHBSPDWEF-KHPPLWFESA-N
MW401.64 g/mol
LogP7.35
Rot. Bonds18

About (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide

(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide (PubChem CID 73346080) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide
PubChem CID73346080
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
InChIKeyZMKZIKHBSPDWEF-KHPPLWFESA-N
XLogP7.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.35
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide (CID 73346080) is (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1.
What is the InChIKey of (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide?
The InChIKey is ZMKZIKHBSPDWEF-KHPPLWFESA-N. The full InChI is InChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-.
What are the key properties of (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide?
(Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide has a molecular weight of 401.64 g/mol, XLogP of 7.35, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide is sourced from PubChem (CID 73346080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).