ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate

C23H25N3O6 — CID 1302656

About ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate

ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate (PubChem CID 1302656) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate
• PubChem CID: 1302656
• Molecular Formula: C23H25N3O6
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.17
• IUPAC Name: ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate
• SMILES: CCOC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C23H25N3O6/c1-4-31-19(27)13-32-17-11-7-5-9-15(17)21-20(14(2)24-23(29)26-21)22(28)25-16-10-6-8-12-18(16)30-3/h5-12,21H,4,13H2,1-3H3,(H,25,28)(H2,24,26,29)/t21-/m0/s1
• InChIKey: UHBSKFUYXGSFAR-NRFANRHFSA-N
• XLogP: 2.90
• TPSA: 114.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate?

The IUPAC name of ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate (CID 1302656) is ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate.

What is the SMILES notation for ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate?

The canonical SMILES for ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate is CCOC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC.

What is the InChIKey of ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate?

The InChIKey is UHBSKFUYXGSFAR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-4-31-19(27)13-32-17-11-7-5-9-15(17)21-20(14(2)24-23(29)26-21)22(28)25-16-10-6-8-12-18(16)30-3/h5-12,21H,4,13H2,1-3H3,(H,25,28)(H2,24,26,29)/t21-/m0/s1.

What are the key properties of ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate?

ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate has a molecular weight of 439.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate is sourced from PubChem (CID 1302656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).