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

C25H30N4O2 — CID 126466308

IUPACN-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C25H30N4O2/c30-23(27-20-7-4-8-21(17-20)29-16-12-26-24(29)31)22-18-25(22)10-14-28(15-11-25)13-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2,(H,26,31)(H,27,30)
InChIKeyRUWJMZSCOPCFRI-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.50
Rot. Bonds6

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

N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126466308) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126466308
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C25H30N4O2/c30-23(27-20-7-4-8-21(17-20)29-16-12-26-24(29)31)22-18-25(22)10-14-28(15-11-25)13-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2,(H,26,31)(H,27,30)
InChIKeyRUWJMZSCOPCFRI-UHFFFAOYSA-N
XLogP3.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126466308) is N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1cccc(N2CCNC2=O)c1)C1CC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is RUWJMZSCOPCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-23(27-20-7-4-8-21(17-20)29-16-12-26-24(29)31)22-18-25(22)10-14-28(15-11-25)13-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2,(H,26,31)(H,27,30).
What are the key properties of N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126466308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).