(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide

C21H35NO3 — CID 11573848

IUPAC(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NC
InChIInChI=1S/C21H35NO3/c1-3-4-5-6-7-10-14-19(23)15-11-8-9-12-16-20(24)17-13-18-21(25)22-2/h7-12,15-16,19-20,23-24H,3-6,13-14,17-18H2,1-2H3,(H,22,25)/b9-8+,10-7-,15-11+,16-12-/t19-,20-/m1/s1
InChIKeyAPXYMIPRWYZTBI-YUYWXVMBSA-N
MW349.52 g/mol
LogP3.82
Rot. Bonds14

About (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide

(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide (PubChem CID 11573848) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide.

Molecular Properties

Compound Name(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide
PubChem CID11573848
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NC
InChIInChI=1S/C21H35NO3/c1-3-4-5-6-7-10-14-19(23)15-11-8-9-12-16-20(24)17-13-18-21(25)22-2/h7-12,15-16,19-20,23-24H,3-6,13-14,17-18H2,1-2H3,(H,22,25)/b9-8+,10-7-,15-11+,16-12-/t19-,20-/m1/s1
InChIKeyAPXYMIPRWYZTBI-YUYWXVMBSA-N
XLogP3.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide?
The IUPAC name of (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide (CID 11573848) is (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide.
What is the SMILES notation for (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide?
The canonical SMILES for (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide is CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)NC.
What is the InChIKey of (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide?
The InChIKey is APXYMIPRWYZTBI-YUYWXVMBSA-N. The full InChI is InChI=1S/C21H35NO3/c1-3-4-5-6-7-10-14-19(23)15-11-8-9-12-16-20(24)17-13-18-21(25)22-2/h7-12,15-16,19-20,23-24H,3-6,13-14,17-18H2,1-2H3,(H,22,25)/b9-8+,10-7-,15-11+,16-12-/t19-,20-/m1/s1.
What are the key properties of (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide?
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide has a molecular weight of 349.52 g/mol, XLogP of 3.82, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide is sourced from PubChem (CID 11573848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).