N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

C21H21NO5 — CID 8751951

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)c2c1
InChIInChI=1S/C21H21NO5/c1-13-16-11-15(24-3)5-7-17(16)27-20(13)21(23)22(2)12-14-4-6-18-19(10-14)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySXWVLEPDDIYRTP-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.79
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 8751951) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID8751951
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)c2c1
InChIInChI=1S/C21H21NO5/c1-13-16-11-15(24-3)5-7-17(16)27-20(13)21(23)22(2)12-14-4-6-18-19(10-14)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeySXWVLEPDDIYRTP-UHFFFAOYSA-N
XLogP3.79
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 8751951) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)c2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is SXWVLEPDDIYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-13-16-11-15(24-3)5-7-17(16)27-20(13)21(23)22(2)12-14-4-6-18-19(10-14)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).