2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide

C36H36N4O4 — CID 4034370

IUPAC2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C36H36N4O4/c1-44-31-19-11-16-29(24-31)37-32(41)25-39-26-40(30-17-9-4-10-18-30)36(35(39)43)20-22-38(23-21-36)34(42)33(27-12-5-2-6-13-27)28-14-7-3-8-15-28/h2-19,24,33H,20-23,25-26H2,1H3,(H,37,41)
InChIKeyFKVQFYATXUESCO-UHFFFAOYSA-N
MW588.71 g/mol
LogP5.13
Rot. Bonds8

About 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide

2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 4034370) has the molecular formula C36H36N4O4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID4034370
Molecular FormulaC36H36N4O4
Molecular Weight588.71 g/mol
Exact Mass588.27
IUPAC Name2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C36H36N4O4/c1-44-31-19-11-16-29(24-31)37-32(41)25-39-26-40(30-17-9-4-10-18-30)36(35(39)43)20-22-38(23-21-36)34(42)33(27-12-5-2-6-13-27)28-14-7-3-8-15-28/h2-19,24,33H,20-23,25-26H2,1H3,(H,37,41)
InChIKeyFKVQFYATXUESCO-UHFFFAOYSA-N
XLogP5.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(2-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 3423981
2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 5032326
2-[8-(3,5-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methylphenyl)acetamide
CID 4302813
N-(4-methoxyphenyl)-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3522831
N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3505724
N-[(2S)-butan-2-yl]-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 92518190
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 5067912
N-(3-chlorophenyl)-2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 42766501
2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3547657
2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3914466
N-butyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3290735
N-[(2R)-butan-2-yl]-2-[8-(2-methylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 7306751

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide (CID 4034370) is 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)C2=O)c1.
What is the InChIKey of 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FKVQFYATXUESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O4/c1-44-31-19-11-16-29(24-31)37-32(41)25-39-26-40(30-17-9-4-10-18-30)36(35(39)43)20-22-38(23-21-36)34(42)33(27-12-5-2-6-13-27)28-14-7-3-8-15-28/h2-19,24,33H,20-23,25-26H2,1H3,(H,37,41).
What are the key properties of 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide?
2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 588.71 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 4034370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).