1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H32N2O4 — CID 23472429

About 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472429) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23472429
• Molecular Formula: C27H32N2O4
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.24
• IUPAC Name: 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C27H32N2O4/c1-7-32-19-12-13-20-21(16-19)33-25-22(24(20)30)23(29(26(25)31)15-14-28(5)6)17-8-10-18(11-9-17)27(2,3)4/h8-13,16,23H,7,14-15H2,1-6H3
• InChIKey: BBJGLLBPWUXMTO-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472429) is 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is BBJGLLBPWUXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-7-32-19-12-13-20-21(16-19)33-25-22(24(20)30)23(29(26(25)31)15-14-28(5)6)17-8-10-18(11-9-17)27(2,3)4/h8-13,16,23H,7,14-15H2,1-6H3.

What are the key properties of 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 448.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).