(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide

C27H45NO4 — CID 14157095

IUPAC(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(31-3)21-23(30-2)22-25(27)32-4/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12-
InChIKeyYYMMCKTYZLLVOG-SEYXRHQNSA-N
MW447.66 g/mol
LogP7.69
Rot. Bonds19

About (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide

(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide (PubChem CID 14157095) has the molecular formula C27H45NO4 and a molecular weight of 447.66 g/mol. Its IUPAC name is (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
PubChem CID14157095
Molecular FormulaC27H45NO4
Molecular Weight447.66 g/mol
Exact Mass447.33
IUPAC Name(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(31-3)21-23(30-2)22-25(27)32-4/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12-
InChIKeyYYMMCKTYZLLVOG-SEYXRHQNSA-N
XLogP7.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
2-[(4-methylphenyl)sulfonyl-octadec-9-enylamino]-N-(2,4,6-trimethoxyphenyl)acetamide
CID 54329903
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-methoxy-5-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid
CID 141223658
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
CID 54375083
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide (CID 14157095) is (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide?
The InChIKey is YYMMCKTYZLLVOG-SEYXRHQNSA-N. The full InChI is InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(31-3)21-23(30-2)22-25(27)32-4/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12-.
What are the key properties of (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide?
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide has a molecular weight of 447.66 g/mol, XLogP of 7.69, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide is sourced from PubChem (CID 14157095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).