4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one

C25H23NO — CID 143719662

IUPAC4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one
SMILESO=C1CCC2(CC2c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C25H23NO/c27-24-15-16-25(26(24)18-19-7-3-1-4-8-19)17-23(25)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyNDGYCDMCDDVYDX-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.40
Rot. Bonds4

About 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one

4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one (PubChem CID 143719662) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one
PubChem CID143719662
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one
SMILESO=C1CCC2(CC2c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1
InChIInChI=1S/C25H23NO/c27-24-15-16-25(26(24)18-19-7-3-1-4-8-19)17-23(25)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23H,15-18H2
InChIKeyNDGYCDMCDDVYDX-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117066612
1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
CID 139058611
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372500
(5R,9R)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372501
(3S,9R)-11-benzylspiro[1,7,11-triazatricyclo[7.4.0.03,7]tridecane-10,1'-cyclopropane]-2,8,12-trione
CID 10854564
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
2,2-diethyl-3-(4-phenylphenyl)cyclobutan-1-one
CID 81416301
1-benzyl-3,3-dichloro-4-(chloromethyl)-5,5-dimethylpyrrolidin-2-one
CID 10041714

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one (CID 143719662) is 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one is O=C1CCC2(CC2c2ccc(-c3ccccc3)cc2)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one?
The InChIKey is NDGYCDMCDDVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c27-24-15-16-25(26(24)18-19-7-3-1-4-8-19)17-23(25)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23H,15-18H2.
What are the key properties of 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one?
4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one has a molecular weight of 353.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-phenylphenyl)-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 143719662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).