N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

C20H21NO4 — CID 110907473

IUPACN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C20H21NO4/c1-14-7-8-18-16(11-14)12-19(25-18)20(23)21(9-10-22)13-15-5-3-4-6-17(15)24-2/h3-8,11-12,22H,9-10,13H2,1-2H3
InChIKeyYVWVTRWKJCBSLB-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.38
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 110907473) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID110907473
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C20H21NO4/c1-14-7-8-18-16(11-14)12-19(25-18)20(23)21(9-10-22)13-15-5-3-4-6-17(15)24-2/h3-8,11-12,22H,9-10,13H2,1-2H3
InChIKeyYVWVTRWKJCBSLB-UHFFFAOYSA-N
XLogP3.38
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 110907502
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 110907491
3-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 47078427
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631
1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115452933

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (CID 110907473) is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is COc1ccccc1CN(CCO)C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YVWVTRWKJCBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-7-8-18-16(11-14)12-19(25-18)20(23)21(9-10-22)13-15-5-3-4-6-17(15)24-2/h3-8,11-12,22H,9-10,13H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110907473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).