3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

C21H26N2O5 — CID 646561

IUPAC3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3
InChIKeyHKNMFYZLUBEBAM-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.93
Rot. Bonds8

About 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 646561) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID646561
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3
InChIKeyHKNMFYZLUBEBAM-UHFFFAOYSA-N
XLogP2.93
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 646561) is 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HKNMFYZLUBEBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3.
What are the key properties of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 646561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).