N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide

C22H23NO4 — CID 16825907

IUPACN-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1
InChIInChI=1S/C22H23NO4/c1-13-17-12-15(23-21(25)22(2,3)4)9-10-18(17)27-20(13)19(24)14-7-6-8-16(11-14)26-5/h6-12H,1-5H3,(H,23,25)
InChIKeyDUDSLAILKWFAAY-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.97
Rot. Bonds4

About N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide

N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide (PubChem CID 16825907) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
PubChem CID16825907
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1
InChIInChI=1S/C22H23NO4/c1-13-17-12-15(23-21(25)22(2,3)4)9-10-18(17)27-20(13)19(24)14-7-6-8-16(11-14)26-5/h6-12H,1-5H3,(H,23,25)
InChIKeyDUDSLAILKWFAAY-UHFFFAOYSA-N
XLogP4.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773536
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
CID 20931108
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
CID 42571259
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide (CID 16825907) is N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide is COc1cccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1.
What is the InChIKey of N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide?
The InChIKey is DUDSLAILKWFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13-17-12-15(23-21(25)22(2,3)4)9-10-18(17)27-20(13)19(24)14-7-6-8-16(11-14)26-5/h6-12H,1-5H3,(H,23,25).
What are the key properties of N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide?
N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16825907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).