[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate

C24H25N3O5 — CID 118012119

IUPAC[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate
SMILESC[C@H](COC(=O)c1ccccc1)OC[C@H](C)n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C24H25N3O5/c1-17(15-31-18(2)16-32-23(29)20-11-7-4-8-12-20)27-14-13-21(26-24(27)30)25-22(28)19-9-5-3-6-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,25,26,28,30)/t17-,18+/m0/s1
InChIKeyXJNFPTKAAYZXFB-ZWKOTPCHSA-N
MW435.48 g/mol
LogP3.32
Rot. Bonds9

About [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate

[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate (PubChem CID 118012119) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate.

Molecular Properties

Compound Name[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate
PubChem CID118012119
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate
SMILESC[C@H](COC(=O)c1ccccc1)OC[C@H](C)n1ccc(NC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C24H25N3O5/c1-17(15-31-18(2)16-32-23(29)20-11-7-4-8-12-20)27-14-13-21(26-24(27)30)25-22(28)19-9-5-3-6-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,25,26,28,30)/t17-,18+/m0/s1
InChIKeyXJNFPTKAAYZXFB-ZWKOTPCHSA-N
XLogP3.32
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate with MolForge

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Related Compounds

[(2R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-2-[(2R)-1-hydroxybutan-2-yl]oxyethyl] benzoate
CID 70904334
N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
CID 131851594
[(2R,3R,4R,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4-methyl-5-propan-2-yloxolan-3-yl] benzoate
CID 66804337
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
diethyl 2-[(4-benzamido-2-oxopyrimidin-1-yl)methyl]propanedioate
CID 101233783
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-methylideneoxolan-2-yl]methyl benzoate
CID 11786168
ethyl 4-(4-benzamido-2-oxopyrimidin-1-yl)cyclohexane-1-carboxylate
CID 168971267
[(3aS,4R,6R,6aR)-4-(4-benzamido-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl benzoate
CID 97487692
N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 66804490
[(1R,2R,4S)-2-(4-benzamido-2-oxopyrimidin-1-yl)-4-(hydroxymethyl)cyclobutyl]methyl benzoate
CID 101025750
[(2R,3S,5S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate
CID 11895013

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate?
The IUPAC name of [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate (CID 118012119) is [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate.
What is the SMILES notation for [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate?
The canonical SMILES for [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate is C[C@H](COC(=O)c1ccccc1)OC[C@H](C)n1ccc(NC(=O)c2ccccc2)nc1=O.
What is the InChIKey of [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate?
The InChIKey is XJNFPTKAAYZXFB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-17(15-31-18(2)16-32-23(29)20-11-7-4-8-12-20)27-14-13-21(26-24(27)30)25-22(28)19-9-5-3-6-10-19/h3-14,17-18H,15-16H2,1-2H3,(H,25,26,28,30)/t17-,18+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate?
[(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate has a molecular weight of 435.48 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-2-(4-benzamido-2-oxopyrimidin-1-yl)propoxy]propyl] benzoate is sourced from PubChem (CID 118012119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).