(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide

C14H25NO3 — CID 162932494

IUPAC(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
SMILESCC(C)CNC(=O)C=CCC[C@@H](O)C=C[C@@H](C)O
InChIInChI=1S/C14H25NO3/c1-11(2)10-15-14(18)7-5-4-6-13(17)9-8-12(3)16/h5,7-9,11-13,16-17H,4,6,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyFEUMKDRLSICPNR-CHWSQXEVSA-N
MW255.36 g/mol
LogP1.39
Rot. Bonds8

About (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide

(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide (PubChem CID 162932494) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide.

Molecular Properties

Compound Name(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
PubChem CID162932494
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
SMILESCC(C)CNC(=O)C=CCC[C@@H](O)C=C[C@@H](C)O
InChIInChI=1S/C14H25NO3/c1-11(2)10-15-14(18)7-5-4-6-13(17)9-8-12(3)16/h5,7-9,11-13,16-17H,4,6,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyFEUMKDRLSICPNR-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide?
The IUPAC name of (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide (CID 162932494) is (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide.
What is the SMILES notation for (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide?
The canonical SMILES for (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide is CC(C)CNC(=O)C=CCC[C@@H](O)C=C[C@@H](C)O.
What is the InChIKey of (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide?
The InChIKey is FEUMKDRLSICPNR-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)10-15-14(18)7-5-4-6-13(17)9-8-12(3)16/h5,7-9,11-13,16-17H,4,6,10H2,1-3H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide?
(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-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 (6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide is sourced from PubChem (CID 162932494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).