(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide

C20H33NO2 — CID 38346124

IUPAC(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide
SMILESCCCCC[C@H](O)/C=C/C=C/C/C=C\C=C\C(=O)NCC(C)C
InChIInChI=1S/C20H33NO2/c1-4-5-11-14-19(22)15-12-9-7-6-8-10-13-16-20(23)21-17-18(2)3/h7-10,12-13,15-16,18-19,22H,4-6,11,14,17H2,1-3H3,(H,21,23)/b9-7+,10-8-,15-12+,16-13+/t19-/m0/s1
InChIKeyGBIGUUMWQWNTMS-LVJHDJGHSA-N
MW319.49 g/mol
LogP4.31
Rot. Bonds12

About (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide

(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide (PubChem CID 38346124) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide.

Molecular Properties

Compound Name(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide
PubChem CID38346124
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide
SMILESCCCCC[C@H](O)/C=C/C=C/C/C=C\C=C\C(=O)NCC(C)C
InChIInChI=1S/C20H33NO2/c1-4-5-11-14-19(22)15-12-9-7-6-8-10-13-16-20(23)21-17-18(2)3/h7-10,12-13,15-16,18-19,22H,4-6,11,14,17H2,1-3H3,(H,21,23)/b9-7+,10-8-,15-12+,16-13+/t19-/m0/s1
InChIKeyGBIGUUMWQWNTMS-LVJHDJGHSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(E)-5-hydroxy-N-(2-methylpropyl)dec-2-enamide
CID 11128451
heptadeca-9,11,14-trien-8-ol
CID 165117059
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
(2E,4Z)-6-hydroxy-7-methyl-N-(2-methylpropyl)octa-2,4-dienamide
CID 15416267
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide?
The IUPAC name of (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide (CID 38346124) is (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide.
What is the SMILES notation for (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide?
The canonical SMILES for (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide is CCCCC[C@H](O)/C=C/C=C/C/C=C\C=C\C(=O)NCC(C)C.
What is the InChIKey of (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide?
The InChIKey is GBIGUUMWQWNTMS-LVJHDJGHSA-N. The full InChI is InChI=1S/C20H33NO2/c1-4-5-11-14-19(22)15-12-9-7-6-8-10-13-16-20(23)21-17-18(2)3/h7-10,12-13,15-16,18-19,22H,4-6,11,14,17H2,1-3H3,(H,21,23)/b9-7+,10-8-,15-12+,16-13+/t19-/m0/s1.
What are the key properties of (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide?
(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide has a molecular weight of 319.49 g/mol, XLogP of 4.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide is sourced from PubChem (CID 38346124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).