1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

C17H18N2O2 — CID 60863461

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCO2)Cc1ccccn1
InChIInChI=1S/C17H18N2O2/c1-19(11-15-4-2-3-8-18-15)12-16(20)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10H,7,9,11-12H2,1H3
InChIKeyPAVQCCYVSFEXLV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.33
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 60863461) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
PubChem CID60863461
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCO2)Cc1ccccn1
InChIInChI=1S/C17H18N2O2/c1-19(11-15-4-2-3-8-18-15)12-16(20)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10H,7,9,11-12H2,1H3
InChIKeyPAVQCCYVSFEXLV-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-ylsulfanylethanone
CID 71898130
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
CID 61438536
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43804519
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
CID 65444542
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 87020213
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 51123814
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 60863461) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is CN(CC(=O)c1ccc2c(c1)CCO2)Cc1ccccn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The InChIKey is PAVQCCYVSFEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(11-15-4-2-3-8-18-15)12-16(20)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10H,7,9,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 282.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 60863461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).