1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one

C23H29N3O — CID 135374921

IUPAC1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(C)(c1ccccc1)N1CC2(CCC(c3ccccc3)CC2)N(N)C1=O
InChIInChI=1S/C23H29N3O/c1-22(2,20-11-7-4-8-12-20)25-17-23(26(24)21(25)27)15-13-19(14-16-23)18-9-5-3-6-10-18/h3-12,19H,13-17,24H2,1-2H3
InChIKeyBBROSOGUPXYPSJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.63
Rot. Bonds3

About 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one

1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 135374921) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID135374921
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(C)(c1ccccc1)N1CC2(CCC(c3ccccc3)CC2)N(N)C1=O
InChIInChI=1S/C23H29N3O/c1-22(2,20-11-7-4-8-12-20)25-17-23(26(24)21(25)27)15-13-19(14-16-23)18-9-5-3-6-10-18/h3-12,19H,13-17,24H2,1-2H3
InChIKeyBBROSOGUPXYPSJ-UHFFFAOYSA-N
XLogP4.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 135374921) is 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one is CC(C)(c1ccccc1)N1CC2(CCC(c3ccccc3)CC2)N(N)C1=O.
What is the InChIKey of 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BBROSOGUPXYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-22(2,20-11-7-4-8-12-20)25-17-23(26(24)21(25)27)15-13-19(14-16-23)18-9-5-3-6-10-18/h3-12,19H,13-17,24H2,1-2H3.
What are the key properties of 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one?
1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 363.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-phenyl-3-(2-phenylpropan-2-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135374921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).