8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C30H43N3O4 — CID 130222199

IUPAC8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C30H43N3O4/c1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24/h7-15,26,34H,16-22H2,1-6H3
InChIKeyHVRLUKDVIGEPCH-UHFFFAOYSA-N
MW509.69 g/mol
LogP4.84
Rot. Bonds8

About 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130222199) has the molecular formula C30H43N3O4 and a molecular weight of 509.69 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130222199
Molecular FormulaC30H43N3O4
Molecular Weight509.69 g/mol
Exact Mass509.33
IUPAC Name8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C30H43N3O4/c1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24/h7-15,26,34H,16-22H2,1-6H3
InChIKeyHVRLUKDVIGEPCH-UHFFFAOYSA-N
XLogP4.84
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.69
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130222199) is 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(O)OC(C)(C)C)C2=O)cc1.
What is the InChIKey of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HVRLUKDVIGEPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O4/c1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24/h7-15,26,34H,16-22H2,1-6H3.
What are the key properties of 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 509.69 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130222199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).