carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate

C23H24N2O5 — CID 91150222

IUPACcarbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate
SMILESCC(C)Oc1ccc2oc(-c3ccc(N4CCCC4)cc3)c(C(=O)OC(N)=O)c2c1
InChIInChI=1S/C23H24N2O5/c1-14(2)28-17-9-10-19-18(13-17)20(22(26)30-23(24)27)21(29-19)15-5-7-16(8-6-15)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,24,27)
InChIKeyJWFQGRMSCSTNPC-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.72
Rot. Bonds5

About carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate

carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate (PubChem CID 91150222) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namecarbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate
PubChem CID91150222
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Namecarbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate
SMILESCC(C)Oc1ccc2oc(-c3ccc(N4CCCC4)cc3)c(C(=O)OC(N)=O)c2c1
InChIInChI=1S/C23H24N2O5/c1-14(2)28-17-9-10-19-18(13-17)20(22(26)30-23(24)27)21(29-19)15-5-7-16(8-6-15)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,24,27)
InChIKeyJWFQGRMSCSTNPC-UHFFFAOYSA-N
XLogP4.72
TPSA95.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate (CID 91150222) is carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate is CC(C)Oc1ccc2oc(-c3ccc(N4CCCC4)cc3)c(C(=O)OC(N)=O)c2c1.
What is the InChIKey of carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is JWFQGRMSCSTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(2)28-17-9-10-19-18(13-17)20(22(26)30-23(24)27)21(29-19)15-5-7-16(8-6-15)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,24,27).
What are the key properties of carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate?
carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 91150222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).