5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione

C25H24N2O5 — CID 90909409

IUPAC5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione
SMILESO=C1NC(O)NC(=O)C1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c28-23-20(24(29)27-25(30)26-23)13-19-11-12-21(31-15-17-7-3-1-4-8-17)22(14-19)32-16-18-9-5-2-6-10-18/h1-12,14,20,25,30H,13,15-16H2,(H,26,28)(H,27,29)
InChIKeyLZPLLHYYVWLHOL-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.53
Rot. Bonds8

About 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione

5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione (PubChem CID 90909409) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione
PubChem CID90909409
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione
SMILESO=C1NC(O)NC(=O)C1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c28-23-20(24(29)27-25(30)26-23)13-19-11-12-21(31-15-17-7-3-1-4-8-17)22(14-19)32-16-18-9-5-2-6-10-18/h1-12,14,20,25,30H,13,15-16H2,(H,26,28)(H,27,29)
InChIKeyLZPLLHYYVWLHOL-UHFFFAOYSA-N
XLogP2.53
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-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

1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
CID 154984487
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
4-[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158061300
[3,4-bis(phenylmethoxy)phenyl]-methylsilane
CID 137330440
3-[(4-amino-3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 67139744
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134

Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione?
The IUPAC name of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione (CID 90909409) is 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione is O=C1NC(O)NC(=O)C1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione?
The InChIKey is LZPLLHYYVWLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c28-23-20(24(29)27-25(30)26-23)13-19-11-12-21(31-15-17-7-3-1-4-8-17)22(14-19)32-16-18-9-5-2-6-10-18/h1-12,14,20,25,30H,13,15-16H2,(H,26,28)(H,27,29).
What are the key properties of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione?
5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione has a molecular weight of 432.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-hydroxy-1,3-diazinane-4,6-dione is sourced from PubChem (CID 90909409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).