1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone

C21H31NO2 — CID 10616370

IUPAC1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)CC1CC1
InChIInChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3
InChIKeyALTIXRRWNZGIQY-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.18
Rot. Bonds5

About 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone

1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone (PubChem CID 10616370) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
PubChem CID10616370
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)CC1CC1
InChIInChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3
InChIKeyALTIXRRWNZGIQY-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)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

Pgv-20229
CID 9861661
7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid propylamide
CID 9947925
1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-pentan-1-one
CID 10493616
1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-hexan-1-one
CID 10494600
1-(7-Tert-butyl-3,3-dimethyl-2,3-dihydrobenzofuran-5-yl)butan-1-one
CID 10516483
1-[3-(Diethylaminomethyl)-4-(2-methylpropoxy)phenyl]ethanone
CID 663258
7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid cyclopropylamide
CID 10517413
7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid butylamide
CID 10638180
7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide
CID 10709447
(E)-1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-4-cyclopropyl-but-2-en-1-one
CID 10781432
7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid pentylamide
CID 10829314
1-Benzyl-4-[3-(2,3-dihydro-benzofuran-5-yl)-3-oxo-propyl]-1-methyl-piperidinium
CID 44320583

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone (CID 10616370) is 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone is CN(CC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)CC1CC1.
What is the InChIKey of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The InChIKey is ALTIXRRWNZGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3.
What are the key properties of 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone has a molecular weight of 329.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 10616370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).