N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide

C20H21NO4 — CID 111477459

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc3cc(C)c(C)cc3o2)c1
InChIInChI=1S/C20H21NO4/c1-12-7-15-10-19(25-18(15)8-13(12)2)20(23)21-11-17(22)14-5-4-6-16(9-14)24-3/h4-10,17,22H,11H2,1-3H3,(H,21,23)
InChIKeyFLHAPLUQCNGILF-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.52
Rot. Bonds5

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 111477459) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID111477459
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc3cc(C)c(C)cc3o2)c1
InChIInChI=1S/C20H21NO4/c1-12-7-15-10-19(25-18(15)8-13(12)2)20(23)21-11-17(22)14-5-4-6-16(9-14)24-3/h4-10,17,22H,11H2,1-3H3,(H,21,23)
InChIKeyFLHAPLUQCNGILF-UHFFFAOYSA-N
XLogP3.52
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-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-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111477467
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide (CID 111477459) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide is COc1cccc(C(O)CNC(=O)c2cc3cc(C)c(C)cc3o2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is FLHAPLUQCNGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-7-15-10-19(25-18(15)8-13(12)2)20(23)21-11-17(22)14-5-4-6-16(9-14)24-3/h4-10,17,22H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111477459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).