2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide

C26H38N4O2 — CID 46879579

IUPAC2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O
InChIInChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
InChIKeyZGRPBBKULOZLTJ-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.95
Rot. Bonds4

About 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide

2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide (PubChem CID 46879579) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
PubChem CID46879579
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O
InChIInChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31)
InChIKeyZGRPBBKULOZLTJ-UHFFFAOYSA-N
XLogP3.95
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The IUPAC name of 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide (CID 46879579) is 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide is CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O.
What is the InChIKey of 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The InChIKey is ZGRPBBKULOZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-27-23(31)20-30-25(32)26(24(28-30)21-12-8-7-9-13-21)16-18-29(19-17-26)22-14-10-5-3-2-4-6-11-15-22/h7-9,12-13,22H,2-6,10-11,14-20H2,1H3,(H,27,31).
What are the key properties of 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide has a molecular weight of 438.62 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclodecyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide is sourced from PubChem (CID 46879579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).