2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide

C19H25N3O5 — CID 126448599

IUPAC2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
SMILESCOc1cccc(CN2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2=O)c1OC
InChIInChI=1S/C19H25N3O5/c1-26-14-6-3-5-13(15(14)27-2)11-21-9-4-7-19(18(21)25)8-10-22(12-19)17(24)16(20)23/h3,5-6H,4,7-12H2,1-2H3,(H2,20,23)/t19-/m1/s1
InChIKeyZYWVZGHGGSWDMA-LJQANCHMSA-N
MW375.43 g/mol
LogP0.53
Rot. Bonds4

About 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide

2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide (PubChem CID 126448599) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
PubChem CID126448599
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
SMILESCOc1cccc(CN2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2=O)c1OC
InChIInChI=1S/C19H25N3O5/c1-26-14-6-3-5-13(15(14)27-2)11-21-9-4-7-19(18(21)25)8-10-22(12-19)17(24)16(20)23/h3,5-6H,4,7-12H2,1-2H3,(H2,20,23)/t19-/m1/s1
InChIKeyZYWVZGHGGSWDMA-LJQANCHMSA-N
XLogP0.53
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243551
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42454621
7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45198728
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126449974
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25396509
7-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119066982
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126444076
2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
CID 119062821
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126428798
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(5-methyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126451245
7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45177820

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide?
The IUPAC name of 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide (CID 126448599) is 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide is COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(N)=O)C3)C2=O)c1OC.
What is the InChIKey of 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide?
The InChIKey is ZYWVZGHGGSWDMA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-26-14-6-3-5-13(15(14)27-2)11-21-9-4-7-19(18(21)25)8-10-22(12-19)17(24)16(20)23/h3,5-6H,4,7-12H2,1-2H3,(H2,20,23)/t19-/m1/s1.
What are the key properties of 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide?
2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide has a molecular weight of 375.43 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide is sourced from PubChem (CID 126448599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).