N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide

C16H19N3O2 — CID 100611990

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide
SMILESCn1cncc1CC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O2/c1-19-11-17-10-14(19)9-16(20)18-6-4-12-2-3-15-13(8-12)5-7-21-15/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)
InChIKeyRJLOCZZTIMPZGP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide (PubChem CID 100611990) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide
PubChem CID100611990
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide
SMILESCn1cncc1CC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O2/c1-19-11-17-10-14(19)9-16(20)18-6-4-12-2-3-15-13(8-12)5-7-21-15/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)
InChIKeyRJLOCZZTIMPZGP-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 119041803
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950636
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 71754922

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide (CID 100611990) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide is Cn1cncc1CC(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide?
The InChIKey is RJLOCZZTIMPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-11-17-10-14(19)9-16(20)18-6-4-12-2-3-15-13(8-12)5-7-21-15/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 100611990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).