(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide

C29H49NO4 — CID 67862538

IUPAC(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
SMILESCCCCCCCC/C=C/CCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)30-29-26(33-3)23-25(32-2)24-27(29)34-4/h12-13,23-24H,5-11,14-22H2,1-4H3,(H,30,31)/b13-12+
InChIKeyOYZWGSJEVHQZET-OUKQBFOZSA-N
MW475.71 g/mol
LogP8.47
Rot. Bonds21

About (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide

(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide (PubChem CID 67862538) has the molecular formula C29H49NO4 and a molecular weight of 475.71 g/mol. Its IUPAC name is (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide.

Molecular Properties

Compound Name(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
PubChem CID67862538
Molecular FormulaC29H49NO4
Molecular Weight475.71 g/mol
Exact Mass475.37
IUPAC Name(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
SMILESCCCCCCCC/C=C/CCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)30-29-26(33-3)23-25(32-2)24-27(29)34-4/h12-13,23-24H,5-11,14-22H2,1-4H3,(H,30,31)/b13-12+
InChIKeyOYZWGSJEVHQZET-OUKQBFOZSA-N
XLogP8.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 58.47
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

(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
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 (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide?
The IUPAC name of (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide (CID 67862538) is (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide.
What is the SMILES notation for (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide?
The canonical SMILES for (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide is CCCCCCCC/C=C/CCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide?
The InChIKey is OYZWGSJEVHQZET-OUKQBFOZSA-N. The full InChI is InChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)30-29-26(33-3)23-25(32-2)24-27(29)34-4/h12-13,23-24H,5-11,14-22H2,1-4H3,(H,30,31)/b13-12+.
What are the key properties of (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide?
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide has a molecular weight of 475.71 g/mol, XLogP of 8.47, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide is sourced from PubChem (CID 67862538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).