3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane

C20H33N3O4 — CID 143811885

IUPAC3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
SMILESCC.CC.COc1cc(CN2C(=O)NC3(CCNCC3)C2=O)cc(OC)c1
InChIInChI=1S/C16H21N3O4.2C2H6/c1-22-12-7-11(8-13(9-12)23-2)10-19-14(20)16(18-15(19)21)3-5-17-6-4-16;2*1-2/h7-9,17H,3-6,10H2,1-2H3,(H,18,21);2*1-2H3
InChIKeyIEDNTLLIDLCSPG-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.93
Rot. Bonds4

About 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane

3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane (PubChem CID 143811885) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
PubChem CID143811885
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
SMILESCC.CC.COc1cc(CN2C(=O)NC3(CCNCC3)C2=O)cc(OC)c1
InChIInChI=1S/C16H21N3O4.2C2H6/c1-22-12-7-11(8-13(9-12)23-2)10-19-14(20)16(18-15(19)21)3-5-17-6-4-16;2*1-2/h7-9,17H,3-6,10H2,1-2H3,(H,18,21);2*1-2H3
InChIKeyIEDNTLLIDLCSPG-UHFFFAOYSA-N
XLogP2.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 81146115
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride
CID 154892305
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 62850026
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 81149958
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane (CID 143811885) is 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane is CC.CC.COc1cc(CN2C(=O)NC3(CCNCC3)C2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The InChIKey is IEDNTLLIDLCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.2C2H6/c1-22-12-7-11(8-13(9-12)23-2)10-19-14(20)16(18-15(19)21)3-5-17-6-4-16;2*1-2/h7-9,17H,3-6,10H2,1-2H3,(H,18,21);2*1-2H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane has a molecular weight of 379.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane is sourced from PubChem (CID 143811885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).