3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H19N3O3 — CID 81146115

IUPAC3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cc(N)cc(CN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-7-10(6-11(16)8-12)9-18-13(19)15(17-14(18)20)4-2-3-5-15/h6-8H,2-5,9,16H2,1H3,(H,17,20)
InChIKeyAWHKKMSSYSCMMU-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.64
Rot. Bonds3

About 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 81146115) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID81146115
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cc(N)cc(CN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c1-21-12-7-10(6-11(16)8-12)9-18-13(19)15(17-14(18)20)4-2-3-5-15/h6-8H,2-5,9,16H2,1H3,(H,17,20)
InChIKeyAWHKKMSSYSCMMU-UHFFFAOYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
CID 143811885
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 81149958
3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 81149806
1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 81149814
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-methoxyaniline
CID 81144753
1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 81150032
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 81150887

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 81146115) is 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COc1cc(N)cc(CN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is AWHKKMSSYSCMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-7-10(6-11(16)8-12)9-18-13(19)15(17-14(18)20)4-2-3-5-15/h6-8H,2-5,9,16H2,1H3,(H,17,20).
What are the key properties of 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 81146115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).