(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide

C30H45NO4 — CID 10028262

IUPAC(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
SMILESCOc1cc(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCO)ccc1O
InChIInChI=1S/C30H45NO4/c1-30(2,22-16-17-23-32)21-15-13-11-9-7-5-4-6-8-10-12-14-18-29(34)31-25-26-19-20-27(33)28(24-26)35-3/h4-5,8-11,15,19-21,24,32-33H,6-7,12-14,16-18,22-23,25H2,1-3H3,(H,31,34)/b5-4-,10-8-,11-9-,21-15-
InChIKeyFFISVAAPMVVGIX-GMTLZDTDSA-N
MW483.69 g/mol
LogP6.77
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide (PubChem CID 10028262) has the molecular formula C30H45NO4 and a molecular weight of 483.69 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
PubChem CID10028262
Molecular FormulaC30H45NO4
Molecular Weight483.69 g/mol
Exact Mass483.33
IUPAC Name(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
SMILESCOc1cc(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCO)ccc1O
InChIInChI=1S/C30H45NO4/c1-30(2,22-16-17-23-32)21-15-13-11-9-7-5-4-6-8-10-12-14-18-29(34)31-25-26-19-20-27(33)28(24-26)35-3/h4-5,8-11,15,19-21,24,32-33H,6-7,12-14,16-18,22-23,25H2,1-3H3,(H,31,34)/b5-4-,10-8-,11-9-,21-15-
InChIKeyFFISVAAPMVVGIX-GMTLZDTDSA-N
XLogP6.77
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.69
LogP ≤ 56.77
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide (CID 10028262) is (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide is COc1cc(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCO)ccc1O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide?
The InChIKey is FFISVAAPMVVGIX-GMTLZDTDSA-N. The full InChI is InChI=1S/C30H45NO4/c1-30(2,22-16-17-23-32)21-15-13-11-9-7-5-4-6-8-10-12-14-18-29(34)31-25-26-19-20-27(33)28(24-26)35-3/h4-5,8-11,15,19-21,24,32-33H,6-7,12-14,16-18,22-23,25H2,1-3H3,(H,31,34)/b5-4-,10-8-,11-9-,21-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide has a molecular weight of 483.69 g/mol, XLogP of 6.77, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-20-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-16,16-dimethylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10028262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).