5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

C16H20N2O5 — CID 3637129

IUPAC5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2cc(OC)c(OC)c(OC)c2)C1C(C)=O
InChIInChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,13-14H,1H2,2-5H3,(H2,17,18,20)
InChIKeyFSGAVZXFYLRXDX-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.79
Rot. Bonds5

About 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one (PubChem CID 3637129) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
PubChem CID3637129
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2cc(OC)c(OC)c(OC)c2)C1C(C)=O
InChIInChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,13-14H,1H2,2-5H3,(H2,17,18,20)
InChIKeyFSGAVZXFYLRXDX-UHFFFAOYSA-N
XLogP1.79
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methylidene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5162709
5-acetyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-1,3-diazinan-2-one
CID 4747333
5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
CID 4752887
2-phenylethyl 4-methylidene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5083805
[4-(5-acetyl-6-methylidene-2-oxo-1,3-diazinan-4-yl)-5-bromo-2-methoxyphenyl] acetate
CID 4749084
(4S,5R)-5-benzoyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2200788
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
methyl (4R,5S)-4-[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2243570
2-ethoxyethyl (4R,5S)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2055150
(5S,6S)-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylidene-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxamide
CID 2228326
2-methoxyethyl (4R,5S)-4-(3-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2252340
2-methylpropyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4751022

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one (CID 3637129) is 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one is C=C1NC(=O)NC(c2cc(OC)c(OC)c(OC)c2)C1C(C)=O.
What is the InChIKey of 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is FSGAVZXFYLRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,13-14H,1H2,2-5H3,(H2,17,18,20).
What are the key properties of 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3637129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).