N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide

C17H21NO3 — CID 113096289

IUPACN-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide
SMILESCN(Cc1c2c(cc3c1OCC3)OCC2)C(=O)C1CCC1
InChIInChI=1S/C17H21NO3/c1-18(17(19)11-3-2-4-11)10-14-13-6-8-20-15(13)9-12-5-7-21-16(12)14/h9,11H,2-8,10H2,1H3
InChIKeyDBGKOJQXVBSJRG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide

N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide (PubChem CID 113096289) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide
PubChem CID113096289
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide
SMILESCN(Cc1c2c(cc3c1OCC3)OCC2)C(=O)C1CCC1
InChIInChI=1S/C17H21NO3/c1-18(17(19)11-3-2-4-11)10-14-13-6-8-20-15(13)9-12-5-7-21-16(12)14/h9,11H,2-8,10H2,1H3
InChIKeyDBGKOJQXVBSJRG-UHFFFAOYSA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide
CID 113096389
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113096077
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113096354
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
N-butyl-N-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200003
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096375
N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113096350
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199424

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide (CID 113096289) is N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide is CN(Cc1c2c(cc3c1OCC3)OCC2)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide?
The InChIKey is DBGKOJQXVBSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(17(19)11-3-2-4-11)10-14-13-6-8-20-15(13)9-12-5-7-21-16(12)14/h9,11H,2-8,10H2,1H3.
What are the key properties of N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide?
N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 113096289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).