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

C16H20N2O4 — CID 4752887

IUPAC5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2ccc(OC)c(OCC)c2)C1C(C)=O
InChIInChI=1S/C16H20N2O4/c1-5-22-13-8-11(6-7-12(13)21-4)15-14(10(3)19)9(2)17-16(20)18-15/h6-8,14-15H,2,5H2,1,3-4H3,(H2,17,18,20)
InChIKeyWAUUHRAWRXTMQR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.17
Rot. Bonds5

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

5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one (PubChem CID 4752887) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
PubChem CID4752887
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
SMILESC=C1NC(=O)NC(c2ccc(OC)c(OCC)c2)C1C(C)=O
InChIInChI=1S/C16H20N2O4/c1-5-22-13-8-11(6-7-12(13)21-4)15-14(10(3)19)9(2)17-16(20)18-15/h6-8,14-15H,2,5H2,1,3-4H3,(H2,17,18,20)
InChIKeyWAUUHRAWRXTMQR-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-but-2-enyl] (4S,5R)-4-(4-ethoxy-3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2252726
5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 3637129
propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4138955
ethyl (4S,5S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2228211
2-methoxyethyl (4R,5S)-4-(3-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2252340
(4S)-5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 1081086
2-methylpropyl (4R,5R)-4-(3-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2167608
2-cyanoethyl (4R,5S)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2054931
5-acetyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methylidene-1,3-diazinan-2-one
CID 4747333
methyl 4-methylidene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5162709
ethyl (4R,5S)-4-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2213953
2-[2-[(4S,5S)-5-acetyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-4-bromophenoxy]acetamide
CID 2242862

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one (CID 4752887) is 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one is C=C1NC(=O)NC(c2ccc(OC)c(OCC)c2)C1C(C)=O.
What is the InChIKey of 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one?
The InChIKey is WAUUHRAWRXTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-5-22-13-8-11(6-7-12(13)21-4)15-14(10(3)19)9(2)17-16(20)18-15/h6-8,14-15H,2,5H2,1,3-4H3,(H2,17,18,20).
What are the key properties of 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one?
5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(3-ethoxy-4-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one is sourced from PubChem (CID 4752887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).