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

C14H17NO2 — CID 43794594

IUPAC1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO2/c1-10(2)15(3)8-13(16)12-9-17-14-7-5-4-6-11(12)14/h4-7,9-10H,8H2,1-3H3
InChIKeyRTWCXYCSCBAQBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.96
Rot. Bonds4

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

1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 43794594) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID43794594
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)c1coc2ccccc12
InChIInChI=1S/C14H17NO2/c1-10(2)15(3)8-13(16)12-9-17-14-7-5-4-6-11(12)14/h4-7,9-10H,8H2,1-3H3
InChIKeyRTWCXYCSCBAQBY-UHFFFAOYSA-N
XLogP2.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-propan-2-ylsulfonylethanone
CID 64635615
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-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62037335
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone (CID 43794594) is 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is RTWCXYCSCBAQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)15(3)8-13(16)12-9-17-14-7-5-4-6-11(12)14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 231.30 g/mol, XLogP of 2.96, 4 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-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 43794594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).