methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate

C24H30N2O6 — CID 73324804

IUPACmethyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)C1C
InChIInChI=1S/C24H30N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-15,20-21H,11-12H2,1-5H3,(H,25,28)
InChIKeyAHKBLVRZDVXQIO-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.20
Rot. Bonds8

About methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate

methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate (PubChem CID 73324804) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
PubChem CID73324804
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Namemethyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)C1C
InChIInChI=1S/C24H30N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-15,20-21H,11-12H2,1-5H3,(H,25,28)
InChIKeyAHKBLVRZDVXQIO-UHFFFAOYSA-N
XLogP3.20
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate with MolForge

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Related Compounds

methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 51680443
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
2-phenylethyl 4-methylidene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5083805
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
ethyl (2S,3R)-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]aziridine-2-carboxylate
CID 101426746
dimethyl (1S,2S,3R,4R)-3,4-bis(3,4,5-trimethoxyphenyl)cyclobutane-1,2-dicarboxylate
CID 122215201
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
1-(2-benzylpyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51337904
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate (CID 73324804) is methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate is COC(=O)C1C(c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)C1C.
What is the InChIKey of methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate?
The InChIKey is AHKBLVRZDVXQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-15,20-21H,11-12H2,1-5H3,(H,25,28).
What are the key properties of methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate?
methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 73324804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).