N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide

C25H31NO3 — CID 10938056

IUPACN-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C25H31NO3/c1-3-4-5-9-16-28-21-12-13-24-23(18-21)22(14-15-26-19(2)27)25(29-24)17-20-10-7-6-8-11-20/h6-8,10-13,18H,3-5,9,14-17H2,1-2H3,(H,26,27)
InChIKeyXVCZDGNAIBKNGV-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.66
Rot. Bonds11

About N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide

N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 10938056) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID10938056
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC NameN-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C25H31NO3/c1-3-4-5-9-16-28-21-12-13-24-23(18-21)22(14-15-26-19(2)27)25(29-24)17-20-10-7-6-8-11-20/h6-8,10-13,18H,3-5,9,14-17H2,1-2H3,(H,26,27)
InChIKeyXVCZDGNAIBKNGV-UHFFFAOYSA-N
XLogP5.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
5-Methoxy-N,N-dimethyl-3-benzofuranethanamine
CID 126589
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-{2-[2-(3-Chloro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 11002840

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide (CID 10938056) is N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide is CCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is XVCZDGNAIBKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-3-4-5-9-16-28-21-12-13-24-23(18-21)22(14-15-26-19(2)27)25(29-24)17-20-10-7-6-8-11-20/h6-8,10-13,18H,3-5,9,14-17H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-5-hexoxy-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 10938056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).