N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C18H17NO3 — CID 4881291

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H17NO3/c1-19(12-14-8-4-5-9-15(14)21-2)18(20)17-11-13-7-3-6-10-16(13)22-17/h3-11H,12H2,1-2H3
InChIKeyAFIZXKRRUMBXPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 4881291) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID4881291
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H17NO3/c1-19(12-14-8-4-5-9-15(14)21-2)18(20)17-11-13-7-3-6-10-16(13)22-17/h3-11H,12H2,1-2H3
InChIKeyAFIZXKRRUMBXPC-UHFFFAOYSA-N
XLogP3.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 4881291) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is COc1ccccc1CN(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AFIZXKRRUMBXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(12-14-8-4-5-9-15(14)21-2)18(20)17-11-13-7-3-6-10-16(13)22-17/h3-11H,12H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).