1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone

C17H24N2O2 — CID 60977167

IUPAC1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
SMILESO=C(CNCC1Cc2ccccc2O1)N1CCCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-9-5-1-2-6-10-19)13-18-12-15-11-14-7-3-4-8-16(14)21-15/h3-4,7-8,15,18H,1-2,5-6,9-13H2
InChIKeyWAGPEWJXMQLCSE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds4

About 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone

1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone (PubChem CID 60977167) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
PubChem CID60977167
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
SMILESO=C(CNCC1Cc2ccccc2O1)N1CCCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-9-5-1-2-6-10-19)13-18-12-15-11-14-7-3-4-8-16(14)21-15/h3-4,7-8,15,18H,1-2,5-6,9-13H2
InChIKeyWAGPEWJXMQLCSE-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)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

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61004474
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489564
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutyl)acetamide
CID 61487190
1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
CID 94648221
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiomorpholine-4-carboxamide
CID 94115982

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone (CID 60977167) is 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone is O=C(CNCC1Cc2ccccc2O1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone?
The InChIKey is WAGPEWJXMQLCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(19-9-5-1-2-6-10-19)13-18-12-15-11-14-7-3-4-8-16(14)21-15/h3-4,7-8,15,18H,1-2,5-6,9-13H2.
What are the key properties of 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone?
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone is sourced from PubChem (CID 60977167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).