(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

C21H22N2O5 — CID 1273424

IUPAC(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCc1ccc(N2C(=O)NC(=O)[C@@H](Cc3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-4-13-5-8-15(9-6-13)23-20(25)17(19(24)22-21(23)26)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,22,24,26)/t17-/m1/s1
InChIKeyNFQNHGBLQCRMRK-QGZVFWFLSA-N
MW382.42 g/mol
LogP2.71
Rot. Bonds6

About (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 1273424) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID1273424
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCc1ccc(N2C(=O)NC(=O)[C@@H](Cc3ccc(OC)cc3OC)C2=O)cc1
InChIInChI=1S/C21H22N2O5/c1-4-13-5-8-15(9-6-13)23-20(25)17(19(24)22-21(23)26)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,22,24,26)/t17-/m1/s1
InChIKeyNFQNHGBLQCRMRK-QGZVFWFLSA-N
XLogP2.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1256748
1-(3-chloro-4-methoxyphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946400
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 871927
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945885
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
5-[(2,4-dimethoxyphenyl)methylidene]-1-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione
CID 1347305
1-(4-bromophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598679
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7272193
(5S)-5-[(4-butylphenyl)iminomethyl]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 7340674
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione (CID 1273424) is (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione is CCc1ccc(N2C(=O)NC(=O)[C@@H](Cc3ccc(OC)cc3OC)C2=O)cc1.
What is the InChIKey of (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NFQNHGBLQCRMRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-13-5-8-15(9-6-13)23-20(25)17(19(24)22-21(23)26)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17H,4,11H2,1-3H3,(H,22,24,26)/t17-/m1/s1.
What are the key properties of (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione?
(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 382.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1273424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).