8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C30H33N3O3 — CID 11225450

IUPAC8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc([N+](=O)[O-])cc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C30H33N3O3/c34-29-30(18-22-32(29)23-24-11-13-27(14-12-24)33(35)36)16-20-31(21-17-30)19-15-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28H,15-23H2
InChIKeyUEMVCYDNCPIFGX-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.63
Rot. Bonds8

About 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11225450) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11225450
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc([N+](=O)[O-])cc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C30H33N3O3/c34-29-30(18-22-32(29)23-24-11-13-27(14-12-24)33(35)36)16-20-31(21-17-30)19-15-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28H,15-23H2
InChIKeyUEMVCYDNCPIFGX-UHFFFAOYSA-N
XLogP5.63
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11225450) is 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccc([N+](=O)[O-])cc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UEMVCYDNCPIFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-29-30(18-22-32(29)23-24-11-13-27(14-12-24)33(35)36)16-20-31(21-17-30)19-15-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,28H,15-23H2.
What are the key properties of 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 483.61 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diphenylpropyl)-2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).