N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide

C19H19NO4 — CID 110922813

IUPACN-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2c(C)c(C(=O)Nc3ccc(CCO)cc3)oc12
InChIInChI=1S/C19H19NO4/c1-12-15-4-3-5-16(23-2)18(15)24-17(12)19(22)20-14-8-6-13(7-9-14)10-11-21/h3-9,21H,10-11H2,1-2H3,(H,20,22)
InChIKeySZOVTEOFKUNTEA-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.54
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 110922813) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID110922813
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2c(C)c(C(=O)Nc3ccc(CCO)cc3)oc12
InChIInChI=1S/C19H19NO4/c1-12-15-4-3-5-16(23-2)18(15)24-17(12)19(22)20-14-8-6-13(7-9-14)10-11-21/h3-9,21H,10-11H2,1-2H3,(H,20,22)
InChIKeySZOVTEOFKUNTEA-UHFFFAOYSA-N
XLogP3.54
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110000692
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
methyl (3S)-3-[(7-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]butanoate
CID 95597118
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 110922813) is N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1cccc2c(C)c(C(=O)Nc3ccc(CCO)cc3)oc12.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SZOVTEOFKUNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-15-4-3-5-16(23-2)18(15)24-17(12)19(22)20-14-8-6-13(7-9-14)10-11-21/h3-9,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-7-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110922813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).