2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide

C30H27NO4 — CID 18861282

IUPAC2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C30H27NO4/c1-18-9-11-19(12-10-18)28(33)29-27(22-7-5-6-8-25(22)35-29)31-26(32)15-20-17-34-24-14-13-21(16-23(20)24)30(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,31,32)
InChIKeyPCLMXIBYYQWRGC-UHFFFAOYSA-N
MW465.55 g/mol
LogP7.20
Rot. Bonds5

About 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide

2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 18861282) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID18861282
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C30H27NO4/c1-18-9-11-19(12-10-18)28(33)29-27(22-7-5-6-8-25(22)35-29)31-26(32)15-20-17-34-24-14-13-21(16-23(20)24)30(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,31,32)
InChIKeyPCLMXIBYYQWRGC-UHFFFAOYSA-N
XLogP7.20
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860663
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861596
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (CID 18861282) is 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is PCLMXIBYYQWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-18-9-11-19(12-10-18)28(33)29-27(22-7-5-6-8-25(22)35-29)31-26(32)15-20-17-34-24-14-13-21(16-23(20)24)30(2,3)4/h5-14,16-17H,15H2,1-4H3,(H,31,32).
What are the key properties of 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 465.55 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 18861282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).