(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide

C24H43NO2 — CID 86573562

IUPAC(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide
SMILESCCCCC/C=C\CCCCCCCC(O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23(26)19-16-17-20-24(27)25-21-22(2)3/h8-9,16-17,19-20,22-23,26H,4-7,10-15,18,21H2,1-3H3,(H,25,27)/b9-8-,19-16+,20-17+
InChIKeyQMKLFORNOMOASV-OBVGHXCDSA-N
MW377.61 g/mol
LogP6.10
Rot. Bonds17

About (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide

(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide (PubChem CID 86573562) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide.

Molecular Properties

Compound Name(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide
PubChem CID86573562
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide
SMILESCCCCC/C=C\CCCCCCCC(O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23(26)19-16-17-20-24(27)25-21-22(2)3/h8-9,16-17,19-20,22-23,26H,4-7,10-15,18,21H2,1-3H3,(H,25,27)/b9-8-,19-16+,20-17+
InChIKeyQMKLFORNOMOASV-OBVGHXCDSA-N
XLogP6.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 71720071
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127029842
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 11447544
4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 73804405
GT32-B
CID 10409139
4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 72965309
(2E,6S,7E,9E,11R)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 101357065
(2E,6R,7E,9E,11R)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 101357066
(2E,6S,7E,9E,11S)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 101357067
Lobosamide C
CID 139583514
8-deoxyheronamide C
CID 139584961
Mirilactam B
CID 139587895

Frequently Asked Questions

What is the IUPAC name of (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide?
The IUPAC name of (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide (CID 86573562) is (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide.
What is the SMILES notation for (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide?
The canonical SMILES for (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide is CCCCC/C=C\CCCCCCCC(O)/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide?
The InChIKey is QMKLFORNOMOASV-OBVGHXCDSA-N. The full InChI is InChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23(26)19-16-17-20-24(27)25-21-22(2)3/h8-9,16-17,19-20,22-23,26H,4-7,10-15,18,21H2,1-3H3,(H,25,27)/b9-8-,19-16+,20-17+.
What are the key properties of (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide?
(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide has a molecular weight of 377.61 g/mol, XLogP of 6.10, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide is sourced from PubChem (CID 86573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).