2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide

C13H18N2O2 — CID 43777118

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc2c(c1)CCO2)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-8(15-9(2)13(14)16)10-3-4-12-11(7-10)5-6-17-12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyVFVYDMZAXMQKDJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds4

About 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide

2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide (PubChem CID 43777118) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
PubChem CID43777118
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc2c(c1)CCO2)C(N)=O
InChIInChI=1S/C13H18N2O2/c1-8(15-9(2)13(14)16)10-3-4-12-11(7-10)5-6-17-12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyVFVYDMZAXMQKDJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 43778171
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721971
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methyl]-3-methylbutanoate
CID 62394211

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide (CID 43777118) is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide is CC(NC(C)c1ccc2c(c1)CCO2)C(N)=O.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide?
The InChIKey is VFVYDMZAXMQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(15-9(2)13(14)16)10-3-4-12-11(7-10)5-6-17-12/h3-4,7-9,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide?
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide is sourced from PubChem (CID 43777118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).