8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C26H40N2O3 — CID 144882868

IUPAC8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCN/C(C)=C/C=C(\C)CCC(C)[C@H](C)C1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O
InChIInChI=1S/C26H40N2O3/c1-18(7-9-20(3)27-5)6-8-19(2)21(4)22-10-12-26(13-11-22)14-15-28(25(26)30)23-16-24(29)31-17-23/h7,9,16,19,21-22,27H,6,8,10-15,17H2,1-5H3/b18-7+,20-9+/t19?,21-,22?,26?/m0/s1
InChIKeyMYSJDSCTIFONNA-LMUWGHFSSA-N
MW428.62 g/mol
LogP4.96
Rot. Bonds8

About 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 144882868) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID144882868
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCN/C(C)=C/C=C(\C)CCC(C)[C@H](C)C1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O
InChIInChI=1S/C26H40N2O3/c1-18(7-9-20(3)27-5)6-8-19(2)21(4)22-10-12-26(13-11-22)14-15-28(25(26)30)23-16-24(29)31-17-23/h7,9,16,19,21-22,27H,6,8,10-15,17H2,1-5H3/b18-7+,20-9+/t19?,21-,22?,26?/m0/s1
InChIKeyMYSJDSCTIFONNA-LMUWGHFSSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 144882868) is 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CN/C(C)=C/C=C(\C)CCC(C)[C@H](C)C1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O.
What is the InChIKey of 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is MYSJDSCTIFONNA-LMUWGHFSSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-18(7-9-20(3)27-5)6-8-19(2)21(4)22-10-12-26(13-11-22)14-15-28(25(26)30)23-16-24(29)31-17-23/h7,9,16,19,21-22,27H,6,8,10-15,17H2,1-5H3/b18-7+,20-9+/t19?,21-,22?,26?/m0/s1.
What are the key properties of 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 428.62 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,6E,8E)-3,6-dimethyl-9-(methylamino)deca-6,8-dien-2-yl]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).