N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide

C23H37NO6 — CID 76733289

IUPACN-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide
SMILESCC(C=CC1CC2(CO2)CC(C)(C)O1)=CCC1OCC(NC(=O)CCC(C)O)CO1
InChIInChI=1S/C23H37NO6/c1-16(5-8-19-11-23(15-29-23)14-22(3,4)30-19)6-10-21-27-12-18(13-28-21)24-20(26)9-7-17(2)25/h5-6,8,17-19,21,25H,7,9-15H2,1-4H3,(H,24,26)
InChIKeyVTNJHGIIMHTENU-UHFFFAOYSA-N
MW423.55 g/mol
LogP2.62
Rot. Bonds8

About N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide

N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide (PubChem CID 76733289) has the molecular formula C23H37NO6 and a molecular weight of 423.55 g/mol. Its IUPAC name is N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide
PubChem CID76733289
Molecular FormulaC23H37NO6
Molecular Weight423.55 g/mol
Exact Mass423.26
IUPAC NameN-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide
SMILESCC(C=CC1CC2(CO2)CC(C)(C)O1)=CCC1OCC(NC(=O)CCC(C)O)CO1
InChIInChI=1S/C23H37NO6/c1-16(5-8-19-11-23(15-29-23)14-22(3,4)30-19)6-10-21-27-12-18(13-28-21)24-20(26)9-7-17(2)25/h5-6,8,17-19,21,25H,7,9-15H2,1-4H3,(H,24,26)
InChIKeyVTNJHGIIMHTENU-UHFFFAOYSA-N
XLogP2.62
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide?
The IUPAC name of N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide (CID 76733289) is N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide.
What is the SMILES notation for N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide?
The canonical SMILES for N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide is CC(C=CC1CC2(CO2)CC(C)(C)O1)=CCC1OCC(NC(=O)CCC(C)O)CO1.
What is the InChIKey of N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide?
The InChIKey is VTNJHGIIMHTENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO6/c1-16(5-8-19-11-23(15-29-23)14-22(3,4)30-19)6-10-21-27-12-18(13-28-21)24-20(26)9-7-17(2)25/h5-6,8,17-19,21,25H,7,9-15H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide?
N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide has a molecular weight of 423.55 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl)-3-methylpenta-2,4-dienyl]-1,3-dioxan-5-yl]-4-hydroxypentanamide is sourced from PubChem (CID 76733289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).