2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone

C18H25NO2 — CID 104542328

IUPAC2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)c2ccc3c(c2)CCO3)CCCCCC1
InChIInChI=1S/C18H25NO2/c1-19(2)18(10-5-3-4-6-11-18)17(20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyQLKBXTHXRDNODB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.46
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone

2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone (PubChem CID 104542328) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
PubChem CID104542328
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)c2ccc3c(c2)CCO3)CCCCCC1
InChIInChI=1S/C18H25NO2/c1-19(2)18(10-5-3-4-6-11-18)17(20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyQLKBXTHXRDNODB-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone 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

2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 104542313
2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749158
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200881
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone (CID 104542328) is 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone is CN(C)C1(C(=O)c2ccc3c(c2)CCO3)CCCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
The InChIKey is QLKBXTHXRDNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19(2)18(10-5-3-4-6-11-18)17(20)15-7-8-16-14(13-15)9-12-21-16/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone is sourced from PubChem (CID 104542328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).