ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide

C49H52N6O11 — CID 163852253

About ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide

ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide (PubChem CID 163852253) has the molecular formula C49H52N6O11 and a molecular weight of 900.99 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide.

Molecular Properties

• Compound Name: ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide
• PubChem CID: 163852253
• Molecular Formula: C49H52N6O11
• Molecular Weight: 900.99 g/mol
• Exact Mass: 900.37
• IUPAC Name: ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide
• SMILES: CCOC(=O)CC(=O)c1ccc(C)cc1.COc1ccnc(N)c1.COc1ccnc(NC(=O)CC(=O)c2ccc(C)cc2)c1.COc1ccnc(NC(=O)CC(=O)c2ccc(O)cc2)c1
• InChI: InChI=1S/C16H16N2O3.C15H14N2O4.C12H14O3.C6H8N2O/c1-11-3-5-12(6-4-11)14(19)10-16(20)18-15-9-13(21-2)7-8-17-15;1-21-12-6-7-16-14(8-12)17-15(20)9-13(19)10-2-4-11(18)5-3-10;1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10;1-9-5-2-3-8-6(7)4-5/h3-9H,10H2,1-2H3,(H,17,18,20);2-8,18H,9H2,1H3,(H,16,17,20);4-7H,3,8H2,1-2H3;2-4H,1H3,(H2,7,8)
• InChIKey: OVIYGBLUAZSLCD-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 248.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.99
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide?

The IUPAC name of ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide (CID 163852253) is ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide.

What is the SMILES notation for ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide?

The canonical SMILES for ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide is CCOC(=O)CC(=O)c1ccc(C)cc1.COc1ccnc(N)c1.COc1ccnc(NC(=O)CC(=O)c2ccc(C)cc2)c1.COc1ccnc(NC(=O)CC(=O)c2ccc(O)cc2)c1.

What is the InChIKey of ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide?

The InChIKey is OVIYGBLUAZSLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3.C15H14N2O4.C12H14O3.C6H8N2O/c1-11-3-5-12(6-4-11)14(19)10-16(20)18-15-9-13(21-2)7-8-17-15;1-21-12-6-7-16-14(8-12)17-15(20)9-13(19)10-2-4-11(18)5-3-10;1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10;1-9-5-2-3-8-6(7)4-5/h3-9H,10H2,1-2H3,(H,17,18,20);2-8,18H,9H2,1H3,(H,16,17,20);4-7H,3,8H2,1-2H3;2-4H,1H3,(H2,7,8).

What are the key properties of ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide?

ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide has a molecular weight of 900.99 g/mol, XLogP of 7.42, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 163852253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).