4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide

C28H27NO4 — CID 26773536

IUPAC4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
SMILESCOc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)c1
InChIInChI=1S/C28H27NO4/c1-17-23-16-21(29-27(31)18-9-11-20(12-10-18)28(2,3)4)13-14-24(23)33-26(17)25(30)19-7-6-8-22(15-19)32-5/h6-16H,1-5H3,(H,29,31)
InChIKeyVYTRVOMWVZMOPR-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.53
Rot. Bonds5

About 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide

4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide (PubChem CID 26773536) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
PubChem CID26773536
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
SMILESCOc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)c1
InChIInChI=1S/C28H27NO4/c1-17-23-16-21(29-27(31)18-9-11-20(12-10-18)28(2,3)4)13-14-24(23)33-26(17)25(30)19-7-6-8-22(15-19)32-5/h6-16H,1-5H3,(H,29,31)
InChIKeyVYTRVOMWVZMOPR-UHFFFAOYSA-N
XLogP6.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
CID 16825907
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-3-carboxamide
CID 20931108
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
CID 42571259
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide (CID 26773536) is 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide is COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The InChIKey is VYTRVOMWVZMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-17-23-16-21(29-27(31)18-9-11-20(12-10-18)28(2,3)4)13-14-24(23)33-26(17)25(30)19-7-6-8-22(15-19)32-5/h6-16H,1-5H3,(H,29,31).
What are the key properties of 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 26773536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).