1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone

C15H19NO2 — CID 43795122

IUPAC1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)c1coc2ccccc12)C(C)C
InChIInChI=1S/C15H19NO2/c1-4-16(11(2)3)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHPCGLGNBDYATIG-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.35
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone

1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone (PubChem CID 43795122) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
PubChem CID43795122
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)c1coc2ccccc12)C(C)C
InChIInChI=1S/C15H19NO2/c1-4-16(11(2)3)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHPCGLGNBDYATIG-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
1-(1-benzofuran-3-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62037335
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
2-[[2-(1-benzofuran-3-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 62030499
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone (CID 43795122) is 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone is CCN(CC(=O)c1coc2ccccc12)C(C)C.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone?
The InChIKey is HPCGLGNBDYATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-16(11(2)3)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone has a molecular weight of 245.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 43795122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).