N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C18H17NO4 — CID 6457308

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H17NO4/c1-21-15-8-7-12(9-16(15)22-2)11-19-18(20)17-10-13-5-3-4-6-14(13)23-17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKOUAKMFLATYEBM-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.38
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 6457308) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID6457308
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H17NO4/c1-21-15-8-7-12(9-16(15)22-2)11-19-18(20)17-10-13-5-3-4-6-14(13)23-17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyKOUAKMFLATYEBM-UHFFFAOYSA-N
XLogP3.38
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 6457308) is N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is KOUAKMFLATYEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-15-8-7-12(9-16(15)22-2)11-19-18(20)17-10-13-5-3-4-6-14(13)23-17/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).