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

C21H22N2O5 — CID 176505151

IUPACN-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)N(C)C)cc(NC(=O)c2oc3ccccc3c2C)c1OC
InChIInChI=1S/C21H22N2O5/c1-12-14-8-6-7-9-16(14)28-18(12)20(24)22-15-10-13(21(25)23(2)3)11-17(26-4)19(15)27-5/h6-11H,1-5H3,(H,22,24)
InChIKeyKPVZCCISPZBOCS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.71
Rot. Bonds5

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

N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 176505151) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID176505151
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(C(=O)N(C)C)cc(NC(=O)c2oc3ccccc3c2C)c1OC
InChIInChI=1S/C21H22N2O5/c1-12-14-8-6-7-9-16(14)28-18(12)20(24)22-15-10-13(21(25)23(2)3)11-17(26-4)19(15)27-5/h6-11H,1-5H3,(H,22,24)
InChIKeyKPVZCCISPZBOCS-UHFFFAOYSA-N
XLogP3.71
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2464234
N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 55893332
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 176505151) is N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide is COc1cc(C(=O)N(C)C)cc(NC(=O)c2oc3ccccc3c2C)c1OC.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KPVZCCISPZBOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12-14-8-6-7-9-16(14)28-18(12)20(24)22-15-10-13(21(25)23(2)3)11-17(26-4)19(15)27-5/h6-11H,1-5H3,(H,22,24).
What are the key properties of N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176505151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).