dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C23H24N2O8 — CID 168635835

IUPACdimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2C(=O)Nc2ccc(OC)c(OC)c2)COC1
InChIInChI=1S/C23H24N2O8/c1-29-18-10-9-14(11-19(18)30-2)24-21(26)15-7-5-6-8-17(15)25-13-33-12-16(22(27)31-3)20(25)23(28)32-4/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyFZYCEDJFKHSCQY-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.35
Rot. Bonds7

About dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168635835) has the molecular formula C23H24N2O8 and a molecular weight of 456.45 g/mol. Its IUPAC name is dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168635835
Molecular FormulaC23H24N2O8
Molecular Weight456.45 g/mol
Exact Mass456.15
IUPAC Namedimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccccc2C(=O)Nc2ccc(OC)c(OC)c2)COC1
InChIInChI=1S/C23H24N2O8/c1-29-18-10-9-14(11-19(18)30-2)24-21(26)15-7-5-6-8-17(15)25-13-33-12-16(22(27)31-3)20(25)23(28)32-4/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyFZYCEDJFKHSCQY-UHFFFAOYSA-N
XLogP2.35
TPSA112.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634202
dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635834
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]benzoic acid
CID 168601308
dimethyl 3-(2-propanoylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632752
dimethyl 3-[2-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633245
dimethyl 3-[2-(butan-2-ylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168636230
dimethyl 3-[2-(4-bromobenzoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631719
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
dimethyl 3-(2-bromo-4,5-dimethoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632534
dimethyl 3-[2-(piperidine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634526
dimethyl 3-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632482
dimethyl 3-(5-formyl-2-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633016

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168635835) is dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccccc2C(=O)Nc2ccc(OC)c(OC)c2)COC1.
What is the InChIKey of dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is FZYCEDJFKHSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O8/c1-29-18-10-9-14(11-19(18)30-2)24-21(26)15-7-5-6-8-17(15)25-13-33-12-16(22(27)31-3)20(25)23(28)32-4/h5-11H,12-13H2,1-4H3,(H,24,26).
What are the key properties of dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 456.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[2-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168635835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).