N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide

C28H30N2O6 — CID 133199362

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide (PubChem CID 133199362) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide
• PubChem CID: 133199362
• Molecular Formula: C28H30N2O6
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.21
• IUPAC Name: N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC(C)(C)Oc3ccc(C)cc32)cc1OC
• InChI: InChI=1S/C28H30N2O6/c1-17-8-10-23-20(13-17)22(16-28(2,3)36-23)30-27(32)21(15-19-7-6-12-35-19)29-26(31)18-9-11-24(33-4)25(14-18)34-5/h6-15,22H,16H2,1-5H3,(H,29,31)(H,30,32)/b21-15-
• InChIKey: BIVFYJODDCBMDD-QNGOZBTKSA-N
• XLogP: 4.79
• TPSA: 99.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide (CID 133199362) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC(C)(C)Oc3ccc(C)cc32)cc1OC.

What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide?

The InChIKey is BIVFYJODDCBMDD-QNGOZBTKSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-17-8-10-23-20(13-17)22(16-28(2,3)36-23)30-27(32)21(15-19-7-6-12-35-19)29-26(31)18-9-11-24(33-4)25(14-18)34-5/h6-15,22H,16H2,1-5H3,(H,29,31)(H,30,32)/b21-15-.

What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide?

N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 490.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]prop-1-en-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 133199362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).