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

C19H20N2O2 — CID 9119435

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O2/c1-20(2)16-10-8-14(9-11-16)13-21(3)19(22)18-12-15-6-4-5-7-17(15)23-18/h4-12H,13H2,1-3H3
InChIKeyKTTQKEOQKLJOKK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.77
Rot. Bonds4

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

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 9119435) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID9119435
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O2/c1-20(2)16-10-8-14(9-11-16)13-21(3)19(22)18-12-15-6-4-5-7-17(15)23-18/h4-12H,13H2,1-3H3
InChIKeyKTTQKEOQKLJOKK-UHFFFAOYSA-N
XLogP3.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 9119435) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KTTQKEOQKLJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20(2)16-10-8-14(9-11-16)13-21(3)19(22)18-12-15-6-4-5-7-17(15)23-18/h4-12H,13H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9119435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).