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

C19H19NO5 — CID 90613307

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H19NO5/c1-23-16-8-7-12(9-17(16)24-2)14(21)11-20-19(22)18-10-13-5-3-4-6-15(13)25-18/h3-10,14,21H,11H2,1-2H3,(H,20,22)
InChIKeyYPOIBIKWSXRTPH-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.91
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (PubChem CID 90613307) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
PubChem CID90613307
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H19NO5/c1-23-16-8-7-12(9-17(16)24-2)14(21)11-20-19(22)18-10-13-5-3-4-6-15(13)25-18/h3-10,14,21H,11H2,1-2H3,(H,20,22)
InChIKeyYPOIBIKWSXRTPH-UHFFFAOYSA-N
XLogP2.91
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 90613302
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111477459
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 95982464
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 99903128

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (CID 90613307) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is COc1ccc(C(O)CNC(=O)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The InChIKey is YPOIBIKWSXRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-23-16-8-7-12(9-17(16)24-2)14(21)11-20-19(22)18-10-13-5-3-4-6-15(13)25-18/h3-10,14,21H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90613307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).