ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H25N3O8 — CID 24564762

IUPACethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H25N3O8/c1-3-33-23(30)20-16(26-24(31)27-21(20)14-7-5-4-6-8-14)12-35-22(29)15-9-10-17(18(11-15)32-2)34-13-19(25)28/h4-11,21H,3,12-13H2,1-2H3,(H2,25,28)(H2,26,27,31)
InChIKeyZDWCTVSVDMPUNR-UHFFFAOYSA-N
MW483.48 g/mol
LogP1.59
Rot. Bonds10

About ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24564762) has the molecular formula C24H25N3O8 and a molecular weight of 483.48 g/mol. Its IUPAC name is ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24564762
Molecular FormulaC24H25N3O8
Molecular Weight483.48 g/mol
Exact Mass483.16
IUPAC Nameethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H25N3O8/c1-3-33-23(30)20-16(26-24(31)27-21(20)14-7-5-4-6-8-14)12-35-22(29)15-9-10-17(18(11-15)32-2)34-13-19(25)28/h4-11,21H,3,12-13H2,1-2H3,(H2,25,28)(H2,26,27,31)
InChIKeyZDWCTVSVDMPUNR-UHFFFAOYSA-N
XLogP1.59
TPSA155.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4R)-6-[(4-hydroxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7866735
ethyl 2-oxo-4-phenyl-6-[(4-phenylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3413116
ethyl 6-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55327175
ethyl (4S)-6-[(4-methylsulfanylbenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41188788
ethyl (4S)-6-[(4-cyanobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7717042
ethyl 2-oxo-4-phenyl-6-(thiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55375163
ethyl (4R)-6-[(3-acetamidobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41251002
ethyl 6-[[2-(2-ethoxyphenoxy)acetyl]oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43028285
ethyl (4R)-6-[(2-fluoro-4-methoxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41190193
ethyl (4R)-6-[(2-carbamoylphenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7534378
(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1H-indazole-3-carboxylate
CID 42987716
ethyl 4-ethyl-6-[(3-methoxy-4-prop-2-enoxybenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18123442

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24564762) is ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is ZDWCTVSVDMPUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O8/c1-3-33-23(30)20-16(26-24(31)27-21(20)14-7-5-4-6-8-14)12-35-22(29)15-9-10-17(18(11-15)32-2)34-13-19(25)28/h4-11,21H,3,12-13H2,1-2H3,(H2,25,28)(H2,26,27,31).
What are the key properties of ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 483.48 g/mol, XLogP of 1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24564762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).