3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

C14H19NO4 — CID 2853045

IUPAC3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)15-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyXENHVEGRCFKEIE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds5

About 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2853045) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2853045
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)15-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyXENHVEGRCFKEIE-UHFFFAOYSA-N
XLogP1.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 2853045) is 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCCO2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is XENHVEGRCFKEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-6-5-10(8-13(12)18-2)14(16)15-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2853045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).