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

C22H23NO4 — CID 113096350

IUPACN-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C22H23NO4/c1-25-19-5-3-2-4-17(19)22(24)23(15-6-7-15)13-18-16-9-11-26-20(16)12-14-8-10-27-21(14)18/h2-5,12,15H,6-11,13H2,1H3
InChIKeyXAQFOOMQUAKDQV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds5

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

N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (PubChem CID 113096350) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
PubChem CID113096350
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C22H23NO4/c1-25-19-5-3-2-4-17(19)22(24)23(15-6-7-15)13-18-16-9-11-26-20(16)12-14-8-10-27-21(14)18/h2-5,12,15H,6-11,13H2,1H3
InChIKeyXAQFOOMQUAKDQV-UHFFFAOYSA-N
XLogP3.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (CID 113096350) is N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is COc1ccccc1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The InChIKey is XAQFOOMQUAKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-19-5-3-2-4-17(19)22(24)23(15-6-7-15)13-18-16-9-11-26-20(16)12-14-8-10-27-21(14)18/h2-5,12,15H,6-11,13H2,1H3.
What are the key properties of N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is sourced from PubChem (CID 113096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).