N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide

C20H25N3O5 — CID 5272854

IUPACN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N3O5/c1-2-14-12-23(20(27)22-19(14)26)18-10-15(24)16(28-18)11-21-17(25)9-8-13-6-4-3-5-7-13/h3-7,12,15-16,18,24H,2,8-11H2,1H3,(H,21,25)(H,22,26,27)/t15-,16+,18+/m0/s1
InChIKeyXYWFVVRHPJXXKT-LZLYRXPVSA-N
MW387.44 g/mol
LogP0.50
Rot. Bonds7

About N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide (PubChem CID 5272854) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide
PubChem CID5272854
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25N3O5/c1-2-14-12-23(20(27)22-19(14)26)18-10-15(24)16(28-18)11-21-17(25)9-8-13-6-4-3-5-7-13/h3-7,12,15-16,18,24H,2,8-11H2,1H3,(H,21,25)(H,22,26,27)/t15-,16+,18+/m0/s1
InChIKeyXYWFVVRHPJXXKT-LZLYRXPVSA-N
XLogP0.50
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide (CID 5272854) is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide is CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is XYWFVVRHPJXXKT-LZLYRXPVSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-2-14-12-23(20(27)22-19(14)26)18-10-15(24)16(28-18)11-21-17(25)9-8-13-6-4-3-5-7-13/h3-7,12,15-16,18,24H,2,8-11H2,1H3,(H,21,25)(H,22,26,27)/t15-,16+,18+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide?
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 387.44 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 5272854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).