3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H33N3O4 — CID 26135405

IUPAC3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C(C)C)CC2
InChIInChI=1S/C22H33N3O4/c1-17(2)23-13-10-22(11-14-23)20(26)24(21(27)25(22)12-5-15-28-3)16-18-6-8-19(29-4)9-7-18/h6-9,17H,5,10-16H2,1-4H3
InChIKeyBZNAETHCTGWXSI-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.74
Rot. Bonds8

About 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26135405) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26135405
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C(C)C)CC2
InChIInChI=1S/C22H33N3O4/c1-17(2)23-13-10-22(11-14-23)20(26)24(21(27)25(22)12-5-15-28-3)16-18-6-8-19(29-4)9-7-18/h6-9,17H,5,10-16H2,1-4H3
InChIKeyBZNAETHCTGWXSI-UHFFFAOYSA-N
XLogP2.74
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(4-phenylbutan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45162214
3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45162126
1-(3-methoxypropyl)-8-[(2R)-4-methylpentan-2-yl]-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141018
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140364
8-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136405
8-[(2S)-1-hydroxypropan-2-yl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229646
3-[(4-methoxyphenyl)methyl]-8-[1-(3-methoxyphenyl)propan-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160194
1-[2-(4-methoxyphenyl)ethyl]-8-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230621
1-[2-(4-methoxyphenyl)ethyl]-8-(1-methoxypropan-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164431
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(thiolan-3-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160699
3-benzyl-8-[(5-chloro-2-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133467

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26135405) is 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C(C)C)CC2.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BZNAETHCTGWXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-17(2)23-13-10-22(11-14-23)20(26)24(21(27)25(22)12-5-15-28-3)16-18-6-8-19(29-4)9-7-18/h6-9,17H,5,10-16H2,1-4H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 403.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26135405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).