N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide

C17H17NO5 — CID 754510

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO5/c1-20-13-7-11(8-14(10-13)21-2)17(19)18-12-3-4-15-16(9-12)23-6-5-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyRSKSQSMKHRXHAP-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide (PubChem CID 754510) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
PubChem CID754510
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO5/c1-20-13-7-11(8-14(10-13)21-2)17(19)18-12-3-4-15-16(9-12)23-6-5-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)
InChIKeyRSKSQSMKHRXHAP-UHFFFAOYSA-N
XLogP2.73
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide (CID 754510) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide?
The InChIKey is RSKSQSMKHRXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-13-7-11(8-14(10-13)21-2)17(19)18-12-3-4-15-16(9-12)23-6-5-22-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide has a molecular weight of 315.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 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-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 754510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).