(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide

C14H27NO3 — CID 162925995

IUPAC(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
SMILESCCCCC[C@H](O)[C@@H](O)/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1
InChIKeyGKAGMQMUZOEEEM-TYDXBBDOSA-N
MW257.37 g/mol
LogP1.62
Rot. Bonds9

About (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide

(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide (PubChem CID 162925995) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide.

Molecular Properties

Compound Name(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
PubChem CID162925995
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
SMILESCCCCC[C@H](O)[C@@H](O)/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1
InChIKeyGKAGMQMUZOEEEM-TYDXBBDOSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 11447544
(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 12090207
4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 73804405
4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 72965309
Mirilactam A
CID 139588130
(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide
CID 162902773
(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
CID 162932494
(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 163044166
(2E,6Z,8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide
CID 163188577
(2E,4E,14Z)-6-hydroxy-N-isobutyl-icosa-2,4,14-trienamide
CID 86573562
(2E,4E,14E)-13-hydroperoxy-N-(2-methylpropyl)icosa-2,4,14-trienamide
CID 75528920
(E)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 21580215

Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide?
The IUPAC name of (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide (CID 162925995) is (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide.
What is the SMILES notation for (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide?
The canonical SMILES for (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide is CCCCC[C@H](O)[C@@H](O)/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide?
The InChIKey is GKAGMQMUZOEEEM-TYDXBBDOSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1.
What are the key properties of (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide?
(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide has a molecular weight of 257.37 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide is sourced from PubChem (CID 162925995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).