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

C24H29NO3 — CID 10959837

IUPACN-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C24H29NO3/c1-3-4-8-15-27-20-11-12-23-22(17-20)21(13-14-25-18(2)26)24(28-23)16-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,25,26)
InChIKeyRLDBHVMPSCYVLU-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.27
Rot. Bonds10

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

N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide (PubChem CID 10959837) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide
PubChem CID10959837
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC NameN-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide
SMILESCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C24H29NO3/c1-3-4-8-15-27-20-11-12-23-22(17-20)21(13-14-25-18(2)26)24(28-23)16-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,25,26)
InChIKeyRLDBHVMPSCYVLU-UHFFFAOYSA-N
XLogP5.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.27
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
2-Benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
CID 657581
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide (CID 10959837) is N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide is CCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide?
The InChIKey is RLDBHVMPSCYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-4-8-15-27-20-11-12-23-22(17-20)21(13-14-25-18(2)26)24(28-23)16-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide?
N-[2-(2-benzyl-5-pentoxy-1-benzofuran-3-yl)ethyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 5.27, 10 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-pentoxy-1-benzofuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 10959837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).