2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide

C16H24N2O2 — CID 104926706

IUPAC2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
SMILESCCC(NCC(=O)N(C)CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-4-14(17-11-16(19)18(3)5-2)12-6-7-15-13(10-12)8-9-20-15/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyRIUNUTXWYCGIMR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds6

About 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide

2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide (PubChem CID 104926706) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
PubChem CID104926706
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
SMILESCCC(NCC(=O)N(C)CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-4-14(17-11-16(19)18(3)5-2)12-6-7-15-13(10-12)8-9-20-15/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyRIUNUTXWYCGIMR-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 103778642
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide (CID 104926706) is 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide is CCC(NCC(=O)N(C)CC)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide?
The InChIKey is RIUNUTXWYCGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-14(17-11-16(19)18(3)5-2)12-6-7-15-13(10-12)8-9-20-15/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide?
2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 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)propylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104926706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).