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

C21H23NO5 — CID 47047818

IUPACN-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N(C)Cc3cccc(OC)c3OC)c2c1
InChIInChI=1S/C21H23NO5/c1-13-19(16-11-15(24-3)9-10-17(16)27-13)21(23)22(2)12-14-7-6-8-18(25-4)20(14)26-5/h6-11H,12H2,1-5H3
InChIKeyPKLLUDWRKQSDKU-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.04
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 47047818) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID47047818
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)N(C)Cc3cccc(OC)c3OC)c2c1
InChIInChI=1S/C21H23NO5/c1-13-19(16-11-15(24-3)9-10-17(16)27-13)21(23)22(2)12-14-7-6-8-18(25-4)20(14)26-5/h6-11H,12H2,1-5H3
InChIKeyPKLLUDWRKQSDKU-UHFFFAOYSA-N
XLogP4.04
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 47047870
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-(4-carbamoylphenyl)-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 71939160
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 47047818) is N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)N(C)Cc3cccc(OC)c3OC)c2c1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is PKLLUDWRKQSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-19(16-11-15(24-3)9-10-17(16)27-13)21(23)22(2)12-14-7-6-8-18(25-4)20(14)26-5/h6-11H,12H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-5-methoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 47047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).