N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C20H22N2O2 — CID 833756

IUPACN-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-22(5-2)16-12-10-15(11-13-16)21-20(23)19-14(3)17-8-6-7-9-18(17)24-19/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyNZGWWLVLKZCABD-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.84
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 833756) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID833756
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-22(5-2)16-12-10-15(11-13-16)21-20(23)19-14(3)17-8-6-7-9-18(17)24-19/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyNZGWWLVLKZCABD-UHFFFAOYSA-N
XLogP4.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 833756) is N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NZGWWLVLKZCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-22(5-2)16-12-10-15(11-13-16)21-20(23)19-14(3)17-8-6-7-9-18(17)24-19/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 833756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).