2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H32N2O5 — CID 23472568

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

2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472568) has the molecular formula C31H32N2O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23472568
• Molecular Formula: C31H32N2O5
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.23
• IUPAC Name: 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C31H32N2O5/c1-4-36-24-15-16-25-26(19-24)38-30-27(29(25)34)28(33(31(30)35)18-8-17-32(2)3)22-11-13-23(14-12-22)37-20-21-9-6-5-7-10-21/h5-7,9-16,19,28H,4,8,17-18,20H2,1-3H3
• InChIKey: AEDQMLLVPQKASC-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472568) is 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(OCc2ccccc2)cc1.

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

The InChIKey is AEDQMLLVPQKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O5/c1-4-36-24-15-16-25-26(19-24)38-30-27(29(25)34)28(33(31(30)35)18-8-17-32(2)3)22-11-13-23(14-12-22)37-20-21-9-6-5-7-10-21/h5-7,9-16,19,28H,4,8,17-18,20H2,1-3H3.

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

2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 512.61 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).