(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide

C14H25NO3 — CID 162902773

IUPAC(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide
SMILESCC(C)CNC(=O)C=CCCC=C[C@@H](O)[C@@H](C)O
InChIInChI=1S/C14H25NO3/c1-11(2)10-15-14(18)9-7-5-4-6-8-13(17)12(3)16/h6-9,11-13,16-17H,4-5,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyUKLDSBSUFFVCNI-CHWSQXEVSA-N
MW255.36 g/mol
LogP1.39
Rot. Bonds8

About (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide

(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide (PubChem CID 162902773) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide.

Molecular Properties

Compound Name(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide
PubChem CID162902773
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide
SMILESCC(C)CNC(=O)C=CCCC=C[C@@H](O)[C@@H](C)O
InChIInChI=1S/C14H25NO3/c1-11(2)10-15-14(18)9-7-5-4-6-8-13(17)12(3)16/h6-9,11-13,16-17H,4-5,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyUKLDSBSUFFVCNI-CHWSQXEVSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.39
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9,10-Dihydroxy-7,15-dimethyl-20-(2-hexenyl)azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 6439426
(3E,5E,7E,9S,10R,11Z,13E,15E,17E,20R)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 132559494
(2E,6Z,8E,10R,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 71717033
(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
(5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
CID 127034349
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
CID 11447544
ZP-amide D
CID 71717660
Heronamide F
CID 76310274
BE 14106
CID 10387608
(2E,6E,8E,10S,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 127029504
(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 12090207
ZP-amide C
CID 9839194

Frequently Asked Questions

What is the IUPAC name of (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide?
The IUPAC name of (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide (CID 162902773) is (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide.
What is the SMILES notation for (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide?
The canonical SMILES for (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide is CC(C)CNC(=O)C=CCCC=C[C@@H](O)[C@@H](C)O.
What is the InChIKey of (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide?
The InChIKey is UKLDSBSUFFVCNI-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)10-15-14(18)9-7-5-4-6-8-13(17)12(3)16/h6-9,11-13,16-17H,4-5,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide?
(8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide has a molecular weight of 255.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R)-8,9-dihydroxy-N-(2-methylpropyl)deca-2,6-dienamide is sourced from PubChem (CID 162902773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).