N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide

C23H25NO5 — CID 113096375

IUPACN-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C23H25NO5/c1-26-19-4-2-3-5-20(19)29-14-22(25)24(16-6-7-16)13-18-17-9-11-27-21(17)12-15-8-10-28-23(15)18/h2-5,12,16H,6-11,13-14H2,1H3
InChIKeyAUCSUFSHUIUSPE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.13
Rot. Bonds7

About N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide

N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide (PubChem CID 113096375) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
PubChem CID113096375
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C23H25NO5/c1-26-19-4-2-3-5-20(19)29-14-22(25)24(16-6-7-16)13-18-17-9-11-27-21(17)12-15-8-10-28-23(15)18/h2-5,12,16H,6-11,13-14H2,1H3
InChIKeyAUCSUFSHUIUSPE-UHFFFAOYSA-N
XLogP3.13
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide (CID 113096375) is N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide is COc1ccccc1OCC(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The InChIKey is AUCSUFSHUIUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-26-19-4-2-3-5-20(19)29-14-22(25)24(16-6-7-16)13-18-17-9-11-27-21(17)12-15-8-10-28-23(15)18/h2-5,12,16H,6-11,13-14H2,1H3.
What are the key properties of N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide is sourced from PubChem (CID 113096375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).