3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one

C29H30N2O3 — CID 122386186

IUPAC3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCOc1ccc(C2=NN(Cc3ccccc3)C(=O)C23CCCCC3)cc1OCc1ccccc1
InChIInChI=1S/C29H30N2O3/c1-33-25-16-15-24(19-26(25)34-21-23-13-7-3-8-14-23)27-29(17-9-4-10-18-29)28(32)31(30-27)20-22-11-5-2-6-12-22/h2-3,5-8,11-16,19H,4,9-10,17-18,20-21H2,1H3
InChIKeyCFEKCDSZEQVUDK-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.97
Rot. Bonds7

About 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one

3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 122386186) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID122386186
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCOc1ccc(C2=NN(Cc3ccccc3)C(=O)C23CCCCC3)cc1OCc1ccccc1
InChIInChI=1S/C29H30N2O3/c1-33-25-16-15-24(19-26(25)34-21-23-13-7-3-8-14-23)27-29(17-9-4-10-18-29)28(32)31(30-27)20-22-11-5-2-6-12-22/h2-3,5-8,11-16,19H,4,9-10,17-18,20-21H2,1H3
InChIKeyCFEKCDSZEQVUDK-UHFFFAOYSA-N
XLogP5.97
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one 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

2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
CID 68983901
(4S)-1-benzyl-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylpyrrolidine-3-carbaldehyde
CID 59902301
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 68981656
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
(3aS,6aR)-2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045023
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one (CID 122386186) is 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one is COc1ccc(C2=NN(Cc3ccccc3)C(=O)C23CCCCC3)cc1OCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is CFEKCDSZEQVUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-33-25-16-15-24(19-26(25)34-21-23-13-7-3-8-14-23)27-29(17-9-4-10-18-29)28(32)31(30-27)20-22-11-5-2-6-12-22/h2-3,5-8,11-16,19H,4,9-10,17-18,20-21H2,1H3.
What are the key properties of 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one?
3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 454.57 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4-methoxy-3-phenylmethoxyphenyl)-2,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 122386186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).