8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H27N3O4 — CID 25121958

IUPAC8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1OCC(C)C
InChIInChI=1S/C19H27N3O4/c1-13(2)12-26-16-10-14(4-5-15(16)25-3)11-22-8-6-19(7-9-22)17(23)20-18(24)21-19/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,20,21,23,24)
InChIKeyLIYFDLLHXPYLQC-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.90
Rot. Bonds6

About 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 25121958) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID25121958
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1OCC(C)C
InChIInChI=1S/C19H27N3O4/c1-13(2)12-26-16-10-14(4-5-15(16)25-3)11-22-8-6-19(7-9-22)17(23)20-18(24)21-19/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,20,21,23,24)
InChIKeyLIYFDLLHXPYLQC-UHFFFAOYSA-N
XLogP1.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118086
8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098563
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol
CID 72877531
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
(2S)-1-[4-[(4,4-difluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97272583
1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046318
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
1-(4,4-difluoropiperidin-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175641337
8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134314
2-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848345

Frequently Asked Questions

What is the IUPAC name of 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 25121958) is 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1OCC(C)C.
What is the InChIKey of 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LIYFDLLHXPYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(2)12-26-16-10-14(4-5-15(16)25-3)11-22-8-6-19(7-9-22)17(23)20-18(24)21-19/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 361.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 25121958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).