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

C23H32N4O2 — CID 46879628

IUPAC2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O
InChIInChI=1S/C23H32N4O2/c1-24-20(28)17-27-22(29)23(21(25-27)18-9-5-4-6-10-18)13-15-26(16-14-23)19-11-7-2-3-8-12-19/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3,(H,24,28)
InChIKeySJLWIGWOHYHSOE-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.78
Rot. Bonds4

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

2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide (PubChem CID 46879628) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
PubChem CID46879628
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O
InChIInChI=1S/C23H32N4O2/c1-24-20(28)17-27-22(29)23(21(25-27)18-9-5-4-6-10-18)13-15-26(16-14-23)19-11-7-2-3-8-12-19/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3,(H,24,28)
InChIKeySJLWIGWOHYHSOE-UHFFFAOYSA-N
XLogP2.78
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The IUPAC name of 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide (CID 46879628) is 2-(8-cycloheptyl-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-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(8-cycloheptyl-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(C3CCCCCC3)CC2)C1=O.
What is the InChIKey of 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
The InChIKey is SJLWIGWOHYHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-24-20(28)17-27-22(29)23(21(25-27)18-9-5-4-6-10-18)13-15-26(16-14-23)19-11-7-2-3-8-12-19/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3,(H,24,28).
What are the key properties of 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide?
2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide has a molecular weight of 396.54 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cycloheptyl-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)-N-methylacetamide is sourced from PubChem (CID 46879628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).