2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide

C16H22N2O3 — CID 61453131

IUPAC2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H22N2O3/c1-3-7-17-16(20)11-18(2)10-14(19)12-4-5-15-13(9-12)6-8-21-15/h4-5,9H,3,6-8,10-11H2,1-2H3,(H,17,20)
InChIKeyGKPQIDGJDYFBLM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.26
Rot. Bonds7

About 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 61453131) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID61453131
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H22N2O3/c1-3-7-17-16(20)11-18(2)10-14(19)12-4-5-15-13(9-12)6-8-21-15/h4-5,9H,3,6-8,10-11H2,1-2H3,(H,17,20)
InChIKeyGKPQIDGJDYFBLM-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61444799
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
CID 61438536
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 61453131) is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is GKPQIDGJDYFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-7-17-16(20)11-18(2)10-14(19)12-4-5-15-13(9-12)6-8-21-15/h4-5,9H,3,6-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 61453131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).