3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H21N3O3 — CID 70742509

IUPAC3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CCN2C(=O)NC3(CCNCC3)C2=O)c1
InChIInChI=1S/C16H21N3O3/c1-22-13-4-2-3-12(11-13)5-10-19-14(20)16(18-15(19)21)6-8-17-9-7-16/h2-4,11,17H,5-10H2,1H3,(H,18,21)
InChIKeyHIJIXMTXCHLOMU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.91
Rot. Bonds4

About 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70742509) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70742509
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(CCN2C(=O)NC3(CCNCC3)C2=O)c1
InChIInChI=1S/C16H21N3O3/c1-22-13-4-2-3-12(11-13)5-10-19-14(20)16(18-15(19)21)6-8-17-9-7-16/h2-4,11,17H,5-10H2,1H3,(H,18,21)
InChIKeyHIJIXMTXCHLOMU-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-[3-(3-aminophenoxy)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755460
(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95210352
3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38637594
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109566
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
3-[(2,5-dimethylphenyl)methyl]-8-[2-(3-methoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276312
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70742509) is 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(CCN2C(=O)NC3(CCNCC3)C2=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HIJIXMTXCHLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-13-4-2-3-12(11-13)5-10-19-14(20)16(18-15(19)21)6-8-17-9-7-16/h2-4,11,17H,5-10H2,1H3,(H,18,21).
What are the key properties of 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70742509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).