N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 1132519

IUPACN-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4/c1-12(2)19(23)21-14-8-9-15(17(11-14)25-3)22-20(24)18-10-13-6-4-5-7-16(13)26-18/h4-12H,1-3H3,(H,21,23)(H,22,24)
InChIKeySWDYPENTZVRHRP-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.29
Rot. Bonds5

About N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide

N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1132519) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1132519
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4/c1-12(2)19(23)21-14-8-9-15(17(11-14)25-3)22-20(24)18-10-13-6-4-5-7-16(13)26-18/h4-12H,1-3H3,(H,21,23)(H,22,24)
InChIKeySWDYPENTZVRHRP-UHFFFAOYSA-N
XLogP4.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-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 N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide (CID 1132519) is N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SWDYPENTZVRHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(2)19(23)21-14-8-9-15(17(11-14)25-3)22-20(24)18-10-13-6-4-5-7-16(13)26-18/h4-12H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide?
N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(2-methylpropanoylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1132519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).