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

C23H25NO5 — CID 113096354

IUPACN-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C23H25NO5/c1-26-18-4-3-5-19(27-2)21(18)23(25)24(15-6-7-15)13-17-16-9-11-28-20(16)12-14-8-10-29-22(14)17/h3-5,12,15H,6-11,13H2,1-2H3
InChIKeyQZXJRZVORHZPMR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.38
Rot. Bonds6

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

N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (PubChem CID 113096354) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
PubChem CID113096354
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C23H25NO5/c1-26-18-4-3-5-19(27-2)21(18)23(25)24(15-6-7-15)13-17-16-9-11-28-20(16)12-14-8-10-29-22(14)17/h3-5,12,15H,6-11,13H2,1-2H3
InChIKeyQZXJRZVORHZPMR-UHFFFAOYSA-N
XLogP3.38
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (CID 113096354) is N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is COc1cccc(OC)c1C(=O)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The InChIKey is QZXJRZVORHZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-26-18-4-3-5-19(27-2)21(18)23(25)24(15-6-7-15)13-17-16-9-11-28-20(16)12-14-8-10-29-22(14)17/h3-5,12,15H,6-11,13H2,1-2H3.
What are the key properties of N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is sourced from PubChem (CID 113096354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).