3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide

C26H31N3O3 — CID 52511083

IUPAC3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H31N3O3/c1-4-14-26(3,28-24(30)23-18(2)21-12-5-6-13-22(21)32-23)25(31)27-19-10-9-11-20(17-19)29-15-7-8-16-29/h5-6,9-13,17H,4,7-8,14-16H2,1-3H3,(H,27,31)(H,28,30)/t26-/m1/s1
InChIKeyGCFJANZPPKHBLS-AREMUKBSSA-N
MW433.55 g/mol
LogP5.27
Rot. Bonds7

About 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 52511083) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID52511083
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H31N3O3/c1-4-14-26(3,28-24(30)23-18(2)21-12-5-6-13-22(21)32-23)25(31)27-19-10-9-11-20(17-19)29-15-7-8-16-29/h5-6,9-13,17H,4,7-8,14-16H2,1-3H3,(H,27,31)(H,28,30)/t26-/m1/s1
InChIKeyGCFJANZPPKHBLS-AREMUKBSSA-N
XLogP5.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide 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 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide (CID 52511083) is 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide is CCC[C@@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GCFJANZPPKHBLS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-4-14-26(3,28-24(30)23-18(2)21-12-5-6-13-22(21)32-23)25(31)27-19-10-9-11-20(17-19)29-15-7-8-16-29/h5-6,9-13,17H,4,7-8,14-16H2,1-3H3,(H,27,31)(H,28,30)/t26-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52511083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).