N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C21H23NO5 — CID 55792336

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(C)oc3ccc(OC)cc23)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-12(16-8-6-15(25-4)11-19(16)26-5)22-21(23)20-13(2)27-18-9-7-14(24-3)10-17(18)20/h6-12H,1-5H3,(H,22,23)
InChIKeyQFMCBOFQGAWOIU-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.26
Rot. Bonds6

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

N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 55792336) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID55792336
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2c(C)oc3ccc(OC)cc23)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-12(16-8-6-15(25-4)11-19(16)26-5)22-21(23)20-13(2)27-18-9-7-14(24-3)10-17(18)20/h6-12H,1-5H3,(H,22,23)
InChIKeyQFMCBOFQGAWOIU-UHFFFAOYSA-N
XLogP4.26
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 55792336) is N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc(C(C)NC(=O)c2c(C)oc3ccc(OC)cc23)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is QFMCBOFQGAWOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-12(16-8-6-15(25-4)11-19(16)26-5)22-21(23)20-13(2)27-18-9-7-14(24-3)10-17(18)20/h6-12H,1-5H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 55792336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).