ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate

C17H19N3O4 — CID 7748899

IUPACethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C17H19N3O4/c1-4-24-17(23)13-5-7-14(8-6-13)19-15(21)10-20-12(3)18-11(2)9-16(20)22/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyCUAHZMDGPAOLQL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.68
Rot. Bonds5

About ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate (PubChem CID 7748899) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
PubChem CID7748899
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C17H19N3O4/c1-4-24-17(23)13-5-7-14(8-6-13)19-15(21)10-20-12(3)18-11(2)9-16(20)22/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyCUAHZMDGPAOLQL-UHFFFAOYSA-N
XLogP1.68
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 7748146
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CID 40540953
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 41107069
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 27656474
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 59036072
ethyl 4-[[2-(3-ethyl-5,6-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl)acetyl]amino]benzoate
CID 91916970
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate (CID 7748899) is ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc(C)cc2=O)cc1.
What is the InChIKey of ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The InChIKey is CUAHZMDGPAOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-24-17(23)13-5-7-14(8-6-13)19-15(21)10-20-12(3)18-11(2)9-16(20)22/h5-9H,4,10H2,1-3H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate has a molecular weight of 329.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7748899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).