6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H32N4O3 — CID 45173916

IUPAC6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C25H32N4O3/c30-22(15-18-5-2-1-3-6-18)28-12-9-25(10-13-28)17-21(25)23(31)27-19-7-4-8-20(16-19)29-14-11-26-24(29)32/h4-5,7-8,16,21H,1-3,6,9-15,17H2,(H,26,32)(H,27,31)
InChIKeyKBTJCRBZKFJIGL-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.67
Rot. Bonds5

About 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45173916) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45173916
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C25H32N4O3/c30-22(15-18-5-2-1-3-6-18)28-12-9-25(10-13-28)17-21(25)23(31)27-19-7-4-8-20(16-19)29-14-11-26-24(29)32/h4-5,7-8,16,21H,1-3,6,9-15,17H2,(H,26,32)(H,27,31)
InChIKeyKBTJCRBZKFJIGL-UHFFFAOYSA-N
XLogP3.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45173916) is 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(C(=O)CC1=CCCCC1)CC2.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is KBTJCRBZKFJIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-22(15-18-5-2-1-3-6-18)28-12-9-25(10-13-28)17-21(25)23(31)27-19-7-4-8-20(16-19)29-14-11-26-24(29)32/h4-5,7-8,16,21H,1-3,6,9-15,17H2,(H,26,32)(H,27,31).
What are the key properties of 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)acetyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45173916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).