ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate

C28H33N3O5 — CID 175562810

About ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate

ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate (PubChem CID 175562810) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate
• PubChem CID: 175562810
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.24
• IUPAC Name: ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(C)cc(-c2ccccc2C)c1C
• InChI: InChI=1S/C28H33N3O5/c1-7-36-25(33)15-23(29-28(35)30-26-24(32)14-18(4)31(6)27(26)34)22-13-16(2)12-21(19(22)5)20-11-9-8-10-17(20)3/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35)
• InChIKey: FVFLJBYMQGXDRK-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 109.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate?

The IUPAC name of ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate (CID 175562810) is ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate.

What is the SMILES notation for ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate?

The canonical SMILES for ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(C)cc(-c2ccccc2C)c1C.

What is the InChIKey of ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate?

The InChIKey is FVFLJBYMQGXDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-7-36-25(33)15-23(29-28(35)30-26-24(32)14-18(4)31(6)27(26)34)22-13-16(2)12-21(19(22)5)20-11-9-8-10-17(20)3/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35).

What are the key properties of ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate?

ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate has a molecular weight of 491.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[2,5-dimethyl-3-(2-methylphenyl)phenyl]-3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate is sourced from PubChem (CID 175562810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).