N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide

C26H26N2O4 — CID 133160576

About N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide

N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide (PubChem CID 133160576) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
• PubChem CID: 133160576
• Molecular Formula: C26H26N2O4
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.19
• IUPAC Name: N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide
• SMILES: COc1ccc2c(c1)CCCC2NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1
• InChI: InChI=1S/C26H26N2O4/c1-17-6-3-8-19(14-17)25(29)28-24(16-21-9-5-13-32-21)26(30)27-23-10-4-7-18-15-20(31-2)11-12-22(18)23/h3,5-6,8-9,11-16,23H,4,7,10H2,1-2H3,(H,27,30)(H,28,29)/b24-16-
• InChIKey: KTUCUUXYIBJIBY-JLPGSUDCSA-N
• XLogP: 4.56
• TPSA: 80.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?

The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide (CID 133160576) is N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide.

What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?

The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide is COc1ccc2c(c1)CCCC2NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1.

What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?

The InChIKey is KTUCUUXYIBJIBY-JLPGSUDCSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-6-3-8-19(14-17)25(29)28-24(16-21-9-5-13-32-21)26(30)27-23-10-4-7-18-15-20(31-2)11-12-22(18)23/h3,5-6,8-9,11-16,23H,4,7,10H2,1-2H3,(H,27,30)(H,28,29)/b24-16-.

What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide?

N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide has a molecular weight of 430.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-(furan-2-yl)-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxoprop-1-en-2-yl]-3-methylbenzamide is sourced from PubChem (CID 133160576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).