(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide

C32H47NO3 — CID 10529203

IUPAC(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C32H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31(34)33-28-29-23-25-30(26-24-29)36-32-22-19-20-27-35-32/h6-7,9-10,12-13,15-16,23-26,32H,2-5,8,11,14,17-22,27-28H2,1H3,(H,33,34)/b7-6-,10-9-,13-12-,16-15-
InChIKeySUPPHFKGAKRGBD-DOFZRALJSA-N
MW493.73 g/mol
LogP8.35
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 10529203) has the molecular formula C32H47NO3 and a molecular weight of 493.73 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide
PubChem CID10529203
Molecular FormulaC32H47NO3
Molecular Weight493.73 g/mol
Exact Mass493.36
IUPAC Name(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C32H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31(34)33-28-29-23-25-30(26-24-29)36-32-22-19-20-27-35-32/h6-7,9-10,12-13,15-16,23-26,32H,2-5,8,11,14,17-22,27-28H2,1H3,(H,33,34)/b7-6-,10-9-,13-12-,16-15-
InChIKeySUPPHFKGAKRGBD-DOFZRALJSA-N
XLogP8.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.73
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

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CID 73253877
(E)-N-benzylhexadec-4-enamide
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N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
CID 2013
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N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
4-(oxan-2-yloxy)benzoic acid
CID 11183645
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
N-(oxan-2-yloxy)hexanamide
CID 142707517
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide (CID 10529203) is (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is SUPPHFKGAKRGBD-DOFZRALJSA-N. The full InChI is InChI=1S/C32H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31(34)33-28-29-23-25-30(26-24-29)36-32-22-19-20-27-35-32/h6-7,9-10,12-13,15-16,23-26,32H,2-5,8,11,14,17-22,27-28H2,1H3,(H,33,34)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 493.73 g/mol, XLogP of 8.35, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[[4-(oxan-2-yloxy)phenyl]methyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10529203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).