ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate

C18H21N3O5 — CID 10832294

IUPACethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate
SMILESCCOC(=O)CC(O)CCn1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C18H21N3O5/c1-2-26-16(23)12-14(22)8-10-21-11-9-15(20-18(21)25)19-17(24)13-6-4-3-5-7-13/h3-7,9,11,14,22H,2,8,10,12H2,1H3,(H,19,20,24,25)
InChIKeyNXJLTEUAZHNPPW-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.20
Rot. Bonds8

About ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate

ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate (PubChem CID 10832294) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate
PubChem CID10832294
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Nameethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate
SMILESCCOC(=O)CC(O)CCn1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C18H21N3O5/c1-2-26-16(23)12-14(22)8-10-21-11-9-15(20-18(21)25)19-17(24)13-6-4-3-5-7-13/h3-7,9,11,14,22H,2,8,10,12H2,1H3,(H,19,20,24,25)
InChIKeyNXJLTEUAZHNPPW-UHFFFAOYSA-N
XLogP1.20
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate?
The IUPAC name of ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate (CID 10832294) is ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate.
What is the SMILES notation for ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate?
The canonical SMILES for ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate is CCOC(=O)CC(O)CCn1ccc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate?
The InChIKey is NXJLTEUAZHNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-2-26-16(23)12-14(22)8-10-21-11-9-15(20-18(21)25)19-17(24)13-6-4-3-5-7-13/h3-7,9,11,14,22H,2,8,10,12H2,1H3,(H,19,20,24,25).
What are the key properties of ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate?
ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate has a molecular weight of 359.38 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-benzamido-2-oxopyrimidin-1-yl)-3-hydroxypentanoate is sourced from PubChem (CID 10832294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).