N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

C27H25NO4 — CID 3450184

IUPACN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-17(2)19-12-14-21(15-13-19)31-16-24(29)28-25-22-6-4-5-7-23(22)32-27(25)26(30)20-10-8-18(3)9-11-20/h4-15,17H,16H2,1-3H3,(H,28,29)
InChIKeyNIAXBORQNYHZMX-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.11
Rot. Bonds7

About N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 3450184) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID3450184
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-17(2)19-12-14-21(15-13-19)31-16-24(29)28-25-22-6-4-5-7-23(22)32-27(25)26(30)20-10-8-18(3)9-11-20/h4-15,17H,16H2,1-3H3,(H,28,29)
InChIKeyNIAXBORQNYHZMX-UHFFFAOYSA-N
XLogP6.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 3450184) is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is NIAXBORQNYHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17(2)19-12-14-21(15-13-19)31-16-24(29)28-25-22-6-4-5-7-23(22)32-27(25)26(30)20-10-8-18(3)9-11-20/h4-15,17H,16H2,1-3H3,(H,28,29).
What are the key properties of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 427.50 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3450184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).