[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate

C20H23N3O5 — CID 55487195

IUPAC[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(=O)CCC(=O)OC(C)C(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H23N3O5/c1-3-13-27-16-7-5-15(6-8-16)17(24)9-10-18(25)28-14(2)19(26)23-20-21-11-4-12-22-20/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H,21,22,23,26)
InChIKeyGLUOMUSZTGAYIY-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.80
Rot. Bonds10

About [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate

[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate (PubChem CID 55487195) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate.

Molecular Properties

Compound Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
PubChem CID55487195
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(=O)CCC(=O)OC(C)C(=O)Nc2ncccn2)cc1
InChIInChI=1S/C20H23N3O5/c1-3-13-27-16-7-5-15(6-8-16)17(24)9-10-18(25)28-14(2)19(26)23-20-21-11-4-12-22-20/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H,21,22,23,26)
InChIKeyGLUOMUSZTGAYIY-UHFFFAOYSA-N
XLogP2.80
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The IUPAC name of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate (CID 55487195) is [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate.
What is the SMILES notation for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The canonical SMILES for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate is CCCOc1ccc(C(=O)CCC(=O)OC(C)C(=O)Nc2ncccn2)cc1.
What is the InChIKey of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate?
The InChIKey is GLUOMUSZTGAYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-3-13-27-16-7-5-15(6-8-16)17(24)9-10-18(25)28-14(2)19(26)23-20-21-11-4-12-22-20/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H,21,22,23,26).
What are the key properties of [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate?
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate has a molecular weight of 385.42 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate is sourced from PubChem (CID 55487195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).