N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide

C21H21NO4 — CID 4289355

IUPACN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
SMILESCCCCC(=O)Nc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C21H21NO4/c1-3-4-9-18(23)22-19-16-7-5-6-8-17(16)26-21(19)20(24)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyHVKJRESTRYQFQK-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide (PubChem CID 4289355) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
PubChem CID4289355
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
SMILESCCCCC(=O)Nc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12
InChIInChI=1S/C21H21NO4/c1-3-4-9-18(23)22-19-16-7-5-6-8-17(16)26-21(19)20(24)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyHVKJRESTRYQFQK-UHFFFAOYSA-N
XLogP4.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide?
The IUPAC name of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide (CID 4289355) is N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide.
What is the SMILES notation for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide?
The canonical SMILES for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide is CCCCC(=O)Nc1c(C(=O)c2ccc(OC)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide?
The InChIKey is HVKJRESTRYQFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-4-9-18(23)22-19-16-7-5-6-8-17(16)26-21(19)20(24)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide?
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide has a molecular weight of 351.40 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide is sourced from PubChem (CID 4289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).