8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H33N3O4 — CID 73204525

IUPAC8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CC=Cc2ccccc2OC)C(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C27H33N3O4/c1-33-20-19-30-26(32)29(16-8-12-23-11-6-7-13-24(23)34-2)25(31)27(30)14-17-28(18-15-27)21-22-9-4-3-5-10-22/h3-13H,14-21H2,1-2H3
InChIKeyICOBVSJVXKPAJX-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.65
Rot. Bonds9

About 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 73204525) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID73204525
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(CC=Cc2ccccc2OC)C(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C27H33N3O4/c1-33-20-19-30-26(32)29(16-8-12-23-11-6-7-13-24(23)34-2)25(31)27(30)14-17-28(18-15-27)21-22-9-4-3-5-10-22/h3-13H,14-21H2,1-2H3
InChIKeyICOBVSJVXKPAJX-UHFFFAOYSA-N
XLogP3.65
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-benzyl-3-[(E)-3-(2-fluorophenyl)prop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169763
1-(2-methoxyethyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146893
2-[8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 26142233
8-[(4-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219539
1-(2-methoxyethyl)-8-[(3-methylphenyl)methyl]-3-(3-phenoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169751
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
1-benzyl-8-[[4-(furan-2-yl)phenyl]methyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26232504
3-benzyl-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138148
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
8-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138451
1-benzyl-8-[(2-hydroxy-5-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134800
8-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134719

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 73204525) is 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(CC=Cc2ccccc2OC)C(=O)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ICOBVSJVXKPAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-33-20-19-30-26(32)29(16-8-12-23-11-6-7-13-24(23)34-2)25(31)27(30)14-17-28(18-15-27)21-22-9-4-3-5-10-22/h3-13H,14-21H2,1-2H3.
What are the key properties of 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 463.58 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-(2-methoxyethyl)-3-[3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 73204525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).