3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

C16H24N2O5 — CID 749260

IUPAC3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-4-5-18-6-8-23-9-7-18/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKeyYRDNIFUEZKOCRF-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.77
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide

3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 749260) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID749260
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-4-5-18-6-8-23-9-7-18/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKeyYRDNIFUEZKOCRF-UHFFFAOYSA-N
XLogP0.77
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 749260) is 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YRDNIFUEZKOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-4-5-18-6-8-23-9-7-18/h10-11H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 749260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).