N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide

C28H36BrN3O4 — CID 59998722

IUPACN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccc(OC)cc1
InChIInChI=1S/C28H36BrN3O4/c1-35-20-26(33)30-25(22-5-9-24(36-2)10-6-22)11-15-31-16-12-28(13-17-31)14-18-32(27(28)34)19-21-3-7-23(29)8-4-21/h3-10,25H,11-20H2,1-2H3,(H,30,33)
InChIKeyHYBRWAKOHRMNNA-UHFFFAOYSA-N
MW558.52 g/mol
LogP4.17
Rot. Bonds10

About N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide

N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide (PubChem CID 59998722) has the molecular formula C28H36BrN3O4 and a molecular weight of 558.52 g/mol. Its IUPAC name is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide
PubChem CID59998722
Molecular FormulaC28H36BrN3O4
Molecular Weight558.52 g/mol
Exact Mass557.19
IUPAC NameN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccc(OC)cc1
InChIInChI=1S/C28H36BrN3O4/c1-35-20-26(33)30-25(22-5-9-24(36-2)10-6-22)11-15-31-16-12-28(13-17-31)14-18-32(27(28)34)19-21-3-7-23(29)8-4-21/h3-10,25H,11-20H2,1-2H3,(H,30,33)
InChIKeyHYBRWAKOHRMNNA-UHFFFAOYSA-N
XLogP4.17
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998982
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 11467678
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-3,4-dimethoxybenzamide
CID 11467702
1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 59998688
N-[(1S)-1-(3-chlorophenyl)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propyl]-2-methylpropanamide
CID 59999042
N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide
CID 59998866
1-(3-hydroxyphenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 142988121
methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylbutanoate
CID 59999290
2-methoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]acetamide
CID 59999038
2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998884
2-[(4-bromophenyl)methyl]-8-[3-(2-methoxyphenyl)-3-phenylpropyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11455593
N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
CID 72618166

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide (CID 59998722) is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide is COCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccc(OC)cc1.
What is the InChIKey of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide?
The InChIKey is HYBRWAKOHRMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36BrN3O4/c1-35-20-26(33)30-25(22-5-9-24(36-2)10-6-22)11-15-31-16-12-28(13-17-31)14-18-32(27(28)34)19-21-3-7-23(29)8-4-21/h3-10,25H,11-20H2,1-2H3,(H,30,33).
What are the key properties of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide?
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide has a molecular weight of 558.52 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(4-methoxyphenyl)propyl]-2-methoxyacetamide is sourced from PubChem (CID 59998722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).