N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide

C22H25NO4 — CID 113096051

IUPACN-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
SMILESCN(CCc1c2c(cc3c1OCC3)OCC2)C(=O)CCOc1ccccc1
InChIInChI=1S/C22H25NO4/c1-23(21(24)10-14-25-17-5-3-2-4-6-17)11-7-19-18-9-13-26-20(18)15-16-8-12-27-22(16)19/h2-6,15H,7-14H2,1H3
InChIKeyGUTXFAJMGQUVEL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.03
Rot. Bonds7

About N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide

N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide (PubChem CID 113096051) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
PubChem CID113096051
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
SMILESCN(CCc1c2c(cc3c1OCC3)OCC2)C(=O)CCOc1ccccc1
InChIInChI=1S/C22H25NO4/c1-23(21(24)10-14-25-17-5-3-2-4-6-17)11-7-19-18-9-13-26-20(18)15-16-8-12-27-22(16)19/h2-6,15H,7-14H2,1H3
InChIKeyGUTXFAJMGQUVEL-UHFFFAOYSA-N
XLogP3.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
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-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
CID 113096080
3-chloro-N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
CID 113096103
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropanamide
CID 77098040
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 31947654
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096375
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide?
The IUPAC name of N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide (CID 113096051) is N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide?
The canonical SMILES for N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide is CN(CCc1c2c(cc3c1OCC3)OCC2)C(=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide?
The InChIKey is GUTXFAJMGQUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-23(21(24)10-14-25-17-5-3-2-4-6-17)11-7-19-18-9-13-26-20(18)15-16-8-12-27-22(16)19/h2-6,15H,7-14H2,1H3.
What are the key properties of N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide?
N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxy-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide is sourced from PubChem (CID 113096051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).