2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide

C19H26N2O2 — CID 167891012

IUPAC2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCC1CCN1CC
InChIInChI=1S/C19H26N2O2/c1-3-5-9-17-18(15-8-6-7-10-16(15)23-17)19(22)20-13-14-11-12-21(14)4-2/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,22)
InChIKeyBZFLZPSPIOHHDI-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds7

About 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide

2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 167891012) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
PubChem CID167891012
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCC1CCN1CC
InChIInChI=1S/C19H26N2O2/c1-3-5-9-17-18(15-8-6-7-10-16(15)23-17)19(22)20-13-14-11-12-21(14)4-2/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,22)
InChIKeyBZFLZPSPIOHHDI-UHFFFAOYSA-N
XLogP3.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide 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-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
CID 167959391
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311
2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
CID 167967580
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
N-[(5-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-butyl-1-benzofuran-3-carboxamide
CID 86587378
2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
CID 167935809
(2-butyl-1-benzofuran-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 141302893
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide (CID 167891012) is 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NCC1CCN1CC.
What is the InChIKey of 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is BZFLZPSPIOHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-5-9-17-18(15-8-6-7-10-16(15)23-17)19(22)20-13-14-11-12-21(14)4-2/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167891012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).