4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide

C30H30N2O7 — CID 46873196

About 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide

4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide (PubChem CID 46873196) has the molecular formula C30H30N2O7 and a molecular weight of 530.58 g/mol. Its IUPAC name is 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
• PubChem CID: 46873196
• Molecular Formula: C30H30N2O7
• Molecular Weight: 530.58 g/mol
• Exact Mass: 530.21
• IUPAC Name: 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
• SMILES: COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1
• InChI: InChI=1S/C30H30N2O7/c1-35-21-7-4-6-18(14-21)23-15-20(10-11-25(23)36-2)29(33)32-24-16-19-9-12-26(38-22-8-5-13-31-17-22)28(37-3)27(19)39-30(24)34/h4,6-7,9-12,14-16,22,31H,5,8,13,17H2,1-3H3,(H,32,33)
• InChIKey: DDUHJXGGHKQDRH-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 108.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.58
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?

The IUPAC name of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide (CID 46873196) is 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide.

What is the SMILES notation for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?

The canonical SMILES for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1.

What is the InChIKey of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?

The InChIKey is DDUHJXGGHKQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O7/c1-35-21-7-4-6-18(14-21)23-15-20(10-11-25(23)36-2)29(33)32-24-16-19-9-12-26(38-22-8-5-13-31-17-22)28(37-3)27(19)39-30(24)34/h4,6-7,9-12,14-16,22,31H,5,8,13,17H2,1-3H3,(H,32,33).

What are the key properties of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?

4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide has a molecular weight of 530.58 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46873196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).