propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate

C16H17N3O5 — CID 24514614

IUPACpropyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O5/c1-2-9-24-15(22)11-3-5-12(6-4-11)17-14(21)10-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyMDWPRDYGYIFCHV-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.74
Rot. Bonds6

About propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate

propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate (PubChem CID 24514614) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate
PubChem CID24514614
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Namepropyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O5/c1-2-9-24-15(22)11-3-5-12(6-4-11)17-14(21)10-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyMDWPRDYGYIFCHV-UHFFFAOYSA-N
XLogP0.74
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788712
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
[2-(4-butylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7602163
butyl 4-[(2-indol-1-ylacetyl)amino]benzoate
CID 4606579
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33117678
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
propyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 2289705
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate (CID 24514614) is propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate?
The InChIKey is MDWPRDYGYIFCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-2-9-24-15(22)11-3-5-12(6-4-11)17-14(21)10-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23).
What are the key properties of propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate?
propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate has a molecular weight of 331.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 24514614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).