3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide

C26H33N5O4 — CID 143821855

About 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide

3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide (PubChem CID 143821855) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
• PubChem CID: 143821855
• Molecular Formula: C26H33N5O4
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.25
• IUPAC Name: 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
• SMILES: [H]/N=C/C(=C\N)c1ccc(NC(=O)C2COc3ccc(C(=O)N(C)C)cc3C2)c(OCCN(C)C)c1
• InChI: InChI=1S/C26H33N5O4/c1-30(2)9-10-34-24-13-17(21(14-27)15-28)5-7-22(24)29-25(32)20-12-19-11-18(26(33)31(3)4)6-8-23(19)35-16-20/h5-8,11,13-15,20,27H,9-10,12,16,28H2,1-4H3,(H,29,32)/b21-15+,27-14+
• InChIKey: ZLHHPRQPUOBVAI-IPKYKIDBSA-N
• XLogP: 2.47
• TPSA: 120.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?

The IUPAC name of 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide (CID 143821855) is 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

What is the SMILES notation for 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?

The canonical SMILES for 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide is [H]/N=C/C(=C\N)c1ccc(NC(=O)C2COc3ccc(C(=O)N(C)C)cc3C2)c(OCCN(C)C)c1.

What is the InChIKey of 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?

The InChIKey is ZLHHPRQPUOBVAI-IPKYKIDBSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-30(2)9-10-34-24-13-17(21(14-27)15-28)5-7-22(24)29-25(32)20-12-19-11-18(26(33)31(3)4)6-8-23(19)35-16-20/h5-8,11,13-15,20,27H,9-10,12,16,28H2,1-4H3,(H,29,32)/b21-15+,27-14+.

What are the key properties of 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?

3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide has a molecular weight of 479.58 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide is sourced from PubChem (CID 143821855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).