methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate

C16H18N2O5 — CID 4746023

IUPACmethyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)N(C(C)=O)C(c2ccccc2OC)C1C(=O)OC
InChIInChI=1S/C16H18N2O5/c1-9-13(15(20)23-4)14(18(10(2)19)16(21)17-9)11-7-5-6-8-12(11)22-3/h5-8,13-14H,1H2,2-4H3,(H,17,21)
InChIKeyXQXQOASSZDVSFC-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.61
Rot. Bonds3

About methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate

methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate (PubChem CID 4746023) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate
PubChem CID4746023
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)N(C(C)=O)C(c2ccccc2OC)C1C(=O)OC
InChIInChI=1S/C16H18N2O5/c1-9-13(15(20)23-4)14(18(10(2)19)16(21)17-9)11-7-5-6-8-12(11)22-3/h5-8,13-14H,1H2,2-4H3,(H,17,21)
InChIKeyXQXQOASSZDVSFC-UHFFFAOYSA-N
XLogP1.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-acetyl-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 3585513
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CID 11652283
methyl 1-(2-methoxyphenyl)-3-oxo-1,2-dihydropyrrolizine-2-carboxylate
CID 102080373
methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
CID 4050196
5-acetyl-4-(2-methoxyphenyl)-1,2,4,10-tetrahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one
CID 58765411
[(4S,5R)-4-(2-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone
CID 2451559
7-(2,3-dimethoxyphenyl)-5-methylidene-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4069600
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-4,5-dihydropyrimidine-3,5-dicarboxylic acid
CID 57166633
methyl (1S,2S)-1-hydroxy-3-methylidene-1,2-dihydroindene-2-carboxylate
CID 102419080
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate (CID 4746023) is methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate is C=C1NC(=O)N(C(C)=O)C(c2ccccc2OC)C1C(=O)OC.
What is the InChIKey of methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The InChIKey is XQXQOASSZDVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9-13(15(20)23-4)14(18(10(2)19)16(21)17-9)11-7-5-6-8-12(11)22-3/h5-8,13-14H,1H2,2-4H3,(H,17,21).
What are the key properties of methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-6-(2-methoxyphenyl)-4-methylidene-2-oxo-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 4746023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).