2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

C28H38N4O3 — CID 130202465

IUPAC2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)N(C)C)C2=O)cc1
InChIInChI=1S/C28H38N4O3/c1-29(2)25(33)20-32-26(34)31(19-22-11-13-24(35-5)14-12-22)21-27(32)15-17-28(18-16-27,30(3)4)23-9-7-6-8-10-23/h6-14H,15-21H2,1-5H3
InChIKeyZXRRGVGLHHARAT-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.79
Rot. Bonds7

About 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 130202465) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
PubChem CID130202465
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)N(C)C)C2=O)cc1
InChIInChI=1S/C28H38N4O3/c1-29(2)25(33)20-32-26(34)31(19-22-11-13-24(35-5)14-12-22)21-27(32)15-17-28(18-16-27,30(3)4)23-9-7-6-8-10-23/h6-14H,15-21H2,1-5H3
InChIKeyZXRRGVGLHHARAT-UHFFFAOYSA-N
XLogP3.79
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 130202465) is 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)N(C)C)C2=O)cc1.
What is the InChIKey of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The InChIKey is ZXRRGVGLHHARAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-29(2)25(33)20-32-26(34)31(19-22-11-13-24(35-5)14-12-22)21-27(32)15-17-28(18-16-27,30(3)4)23-9-7-6-8-10-23/h6-14H,15-21H2,1-5H3.
What are the key properties of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 478.64 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 130202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).