N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide

C27H25NO4 — CID 3446005

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C27H25NO4/c1-17(2)19-13-15-21(16-14-19)31-18(3)27(30)28-24-22-11-7-8-12-23(22)32-26(24)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,28,30)
InChIKeyAIZBIFPRQZZOJL-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.19
Rot. Bonds7

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 3446005) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID3446005
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C27H25NO4/c1-17(2)19-13-15-21(16-14-19)31-18(3)27(30)28-24-22-11-7-8-12-23(22)32-26(24)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,28,30)
InChIKeyAIZBIFPRQZZOJL-UHFFFAOYSA-N
XLogP6.19
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 ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3324905

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide (CID 3446005) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is AIZBIFPRQZZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17(2)19-13-15-21(16-14-19)31-18(3)27(30)28-24-22-11-7-8-12-23(22)32-26(24)25(29)20-9-5-4-6-10-20/h4-18H,1-3H3,(H,28,30).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 427.50 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 3446005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).