ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H24N2O7 — CID 24686716

IUPACethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)COc2ccc(C(=O)CC)cc2)NC(=O)NC1C
InChIInChI=1S/C20H24N2O7/c1-4-16(23)13-6-8-14(9-7-13)28-11-17(24)29-10-15-18(19(25)27-5-2)12(3)21-20(26)22-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,21,22,26)
InChIKeyLNAKOIVCBSOPEJ-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.72
Rot. Bonds9

About ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24686716) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24686716
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Nameethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)COc2ccc(C(=O)CC)cc2)NC(=O)NC1C
InChIInChI=1S/C20H24N2O7/c1-4-16(23)13-6-8-14(9-7-13)28-11-17(24)29-10-15-18(19(25)27-5-2)12(3)21-20(26)22-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,21,22,26)
InChIKeyLNAKOIVCBSOPEJ-UHFFFAOYSA-N
XLogP1.72
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24686716) is ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)COc2ccc(C(=O)CC)cc2)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is LNAKOIVCBSOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-4-16(23)13-6-8-14(9-7-13)28-11-17(24)29-10-15-18(19(25)27-5-2)12(3)21-20(26)22-15/h6-9,12H,4-5,10-11H2,1-3H3,(H2,21,22,26).
What are the key properties of ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).