2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide

C16H22N2O2 — CID 43777777

IUPAC2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-4-9-17-15(19)10-18-12(3)16-11(2)13-7-5-6-8-14(13)20-16/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeySFHALTDEPGVFER-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide

2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide (PubChem CID 43777777) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
PubChem CID43777777
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-4-9-17-15(19)10-18-12(3)16-11(2)13-7-5-6-8-14(13)20-16/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeySFHALTDEPGVFER-UHFFFAOYSA-N
XLogP2.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 86789657
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
CID 113261110
[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666973
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide (CID 43777777) is 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1oc2ccccc2c1C.
What is the InChIKey of 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide?
The InChIKey is SFHALTDEPGVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-9-17-15(19)10-18-12(3)16-11(2)13-7-5-6-8-14(13)20-16/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide?
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 43777777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).