N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide

C26H25NO3 — CID 18861230

IUPACN-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2c1
InChIInChI=1S/C26H25NO3/c1-3-19-9-14-25-24(15-19)21(18-30-25)16-26(28)27(17-20-7-5-4-6-8-20)22-10-12-23(29-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeyPWKMFVAWSUFJII-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.78
Rot. Bonds7

About N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide

N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 18861230) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID18861230
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC NameN-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2c1
InChIInChI=1S/C26H25NO3/c1-3-19-9-14-25-24(15-19)21(18-30-25)16-26(28)27(17-20-7-5-4-6-8-20)22-10-12-23(29-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeyPWKMFVAWSUFJII-UHFFFAOYSA-N
XLogP5.78
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18860713
N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 18861012
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 18861632
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861229
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide (CID 18861230) is N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide is CCc1ccc2occ(CC(=O)N(Cc3ccccc3)c3ccc(OC)cc3)c2c1.
What is the InChIKey of N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is PWKMFVAWSUFJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-3-19-9-14-25-24(15-19)21(18-30-25)16-26(28)27(17-20-7-5-4-6-8-20)22-10-12-23(29-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18861230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).