8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C23H28N4O2 — CID 130202637

IUPAC8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NC(=O)N(CCc1cccnc1)C2=O
InChIInChI=1S/C23H28N4O2/c1-26(2)23(19-8-4-3-5-9-19)13-11-22(12-14-23)20(28)27(21(29)25-22)16-10-18-7-6-15-24-17-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)
InChIKeyNHLQEQBHEOEZMO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.95
Rot. Bonds5

About 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 130202637) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID130202637
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)NC(=O)N(CCc1cccnc1)C2=O
InChIInChI=1S/C23H28N4O2/c1-26(2)23(19-8-4-3-5-9-19)13-11-22(12-14-23)20(28)27(21(29)25-22)16-10-18-7-6-15-24-17-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)
InChIKeyNHLQEQBHEOEZMO-UHFFFAOYSA-N
XLogP2.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 130202637) is 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CN(C)C1(c2ccccc2)CCC2(CC1)NC(=O)N(CCc1cccnc1)C2=O.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NHLQEQBHEOEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)23(19-8-4-3-5-9-19)13-11-22(12-14-23)20(28)27(21(29)25-22)16-10-18-7-6-15-24-17-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29).
What are the key properties of 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 130202637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).