1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C23H24N2O3 — CID 20885509

IUPAC1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3oc4ccccc4c3n2CC)cc1
InChIInChI=1S/C23H24N2O3/c1-3-13-27-17-11-9-16(10-12-17)15-24-23(26)19-14-21-22(25(19)4-2)18-7-5-6-8-20(18)28-21/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)
InChIKeyZFYZBCRTHWSMFM-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.13
Rot. Bonds7

About 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 20885509) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID20885509
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3oc4ccccc4c3n2CC)cc1
InChIInChI=1S/C23H24N2O3/c1-3-13-27-17-11-9-16(10-12-17)15-24-23(26)19-14-21-22(25(19)4-2)18-7-5-6-8-20(18)28-21/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)
InChIKeyZFYZBCRTHWSMFM-UHFFFAOYSA-N
XLogP5.13
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 20885509) is 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is CCCOc1ccc(CNC(=O)c2cc3oc4ccccc4c3n2CC)cc1.
What is the InChIKey of 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is ZFYZBCRTHWSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-13-27-17-11-9-16(10-12-17)15-24-23(26)19-14-21-22(25(19)4-2)18-7-5-6-8-20(18)28-21/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26).
What are the key properties of 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 20885509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).