(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide

C16H25NO4 — CID 101357058

IUPAC(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
SMILESCC(=O)/C=C/C=C/[C@H](O)CC/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C16H25NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,14,19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+/t14-/m0/s1
InChIKeyVCRNTFWOWYDPLY-BHPBWERZSA-N
MW295.38 g/mol
LogP1.27
Rot. Bonds9

About (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide

(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide (PubChem CID 101357058) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide.

Molecular Properties

Compound Name(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
PubChem CID101357058
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
SMILESCC(=O)/C=C/C=C/[C@H](O)CC/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C16H25NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,14,19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+/t14-/m0/s1
InChIKeyVCRNTFWOWYDPLY-BHPBWERZSA-N
XLogP1.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide with MolForge

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Related Compounds

(2E,6Z,8E,10E)-N-(2,3-dihydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
CID 76331637
(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 71720071
(2E,6Z,8E,10R,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 71717033
(2E,7E,9E)-11-ethoxy-6-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 127025456
(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
(2E,6E,8E)-10-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-oxoundeca-2,6,8-trienamide
CID 127025457
ZP-amide A
CID 71719469
ZP-amide D
CID 71717660
ZP-amide B
CID 127027960
(2E,7E,9E)-6-ethoxy-11-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 127025455
(2E,6E,8E,10S,11S)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
CID 127029504
Timuramide A
CID 71521889

Frequently Asked Questions

What is the IUPAC name of (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide?
The IUPAC name of (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide (CID 101357058) is (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide.
What is the SMILES notation for (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide?
The canonical SMILES for (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide is CC(=O)/C=C/C=C/[C@H](O)CC/C=C/C(=O)NCC(C)(C)O.
What is the InChIKey of (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide?
The InChIKey is VCRNTFWOWYDPLY-BHPBWERZSA-N. The full InChI is InChI=1S/C16H25NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,14,19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+/t14-/m0/s1.
What are the key properties of (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide?
(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide has a molecular weight of 295.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide is sourced from PubChem (CID 101357058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).