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

C28H33N3O6 — CID 175562923

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

ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate (PubChem CID 175562923) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate
• PubChem CID: 175562923
• Molecular Formula: C28H33N3O6
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.24
• IUPAC Name: ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2ccccc2C)c1C
• InChI: InChI=1S/C28H33N3O6/c1-7-37-25(33)15-23(29-28(35)30-26-24(32)12-17(3)31(5)27(26)34)22-14-19(36-6)13-21(18(22)4)20-11-9-8-10-16(20)2/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35)
• InChIKey: AIFKBNQCBJVWFU-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 118.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate (CID 175562923) is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate.

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

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

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

The InChIKey is AIFKBNQCBJVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6/c1-7-37-25(33)15-23(29-28(35)30-26-24(32)12-17(3)31(5)27(26)34)22-14-19(36-6)13-21(18(22)4)20-11-9-8-10-16(20)2/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35).

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

ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate has a molecular weight of 507.59 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate is sourced from PubChem (CID 175562923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).