N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide

C17H23NO2 — CID 60574738

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-5-18(17(19)10-12(2)3)13(4)16-11-14-8-6-7-9-15(14)20-16/h6-9,11-13H,5,10H2,1-4H3
InChIKeyMSMDJBQAWIKYJX-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide (PubChem CID 60574738) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
PubChem CID60574738
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-5-18(17(19)10-12(2)3)13(4)16-11-14-8-6-7-9-15(14)20-16/h6-9,11-13H,5,10H2,1-4H3
InChIKeyMSMDJBQAWIKYJX-UHFFFAOYSA-N
XLogP4.39
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide 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

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
CID 120625514
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide (CID 60574738) is N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide is CCN(C(=O)CC(C)C)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide?
The InChIKey is MSMDJBQAWIKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-18(17(19)10-12(2)3)13(4)16-11-14-8-6-7-9-15(14)20-16/h6-9,11-13H,5,10H2,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 60574738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).