N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C19H19NO5 — CID 9483304

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)11-20-19(21)17-10-13-6-4-5-7-14(13)25-17/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyAGMWPWBVLUUURX-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.39
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9483304) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9483304
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)11-20-19(21)17-10-13-6-4-5-7-14(13)25-17/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyAGMWPWBVLUUURX-UHFFFAOYSA-N
XLogP3.39
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9483304) is N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1cc(CNC(=O)c2cc3ccccc3o2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is AGMWPWBVLUUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-8-12(9-16(23-2)18(15)24-3)11-20-19(21)17-10-13-6-4-5-7-14(13)25-17/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9483304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).