1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone

C17H23NO3 — CID 62037335

IUPAC1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CCO)CC(=O)c1coc2ccccc12
InChIInChI=1S/C17H23NO3/c1-3-13(4-2)18(9-10-19)11-16(20)15-12-21-17-8-6-5-7-14(15)17/h5-8,12-13,19H,3-4,9-11H2,1-2H3
InChIKeyMPLKRTJDYNWKBW-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.10
Rot. Bonds8

About 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone

1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone (PubChem CID 62037335) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
PubChem CID62037335
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CCO)CC(=O)c1coc2ccccc12
InChIInChI=1S/C17H23NO3/c1-3-13(4-2)18(9-10-19)11-16(20)15-12-21-17-8-6-5-7-14(15)17/h5-8,12-13,19H,3-4,9-11H2,1-2H3
InChIKeyMPLKRTJDYNWKBW-UHFFFAOYSA-N
XLogP3.10
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
N-(2-bromoethyl)-N-pentan-3-yl-1-benzofuran-3-carboxamide
CID 80671740
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
2-[[2-(1-benzofuran-3-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 62030499
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone (CID 62037335) is 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone is CCC(CC)N(CCO)CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone?
The InChIKey is MPLKRTJDYNWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-13(4-2)18(9-10-19)11-16(20)15-12-21-17-8-6-5-7-14(15)17/h5-8,12-13,19H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone has a molecular weight of 289.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone is sourced from PubChem (CID 62037335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).