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

C16H24N2O5 — CID 5260630

IUPAC2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)17-6-7-18-8-10-23-11-9-18/h4-5H,6-11H2,1-3H3,(H,17,19)
InChIKeyQINCJBYUVAQERM-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.77
Rot. Bonds7

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

2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 5260630) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID5260630
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)17-6-7-18-8-10-23-11-9-18/h4-5H,6-11H2,1-3H3,(H,17,19)
InChIKeyQINCJBYUVAQERM-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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 5260630) is 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(=O)NCCN2CCOCC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is QINCJBYUVAQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-20-13-5-4-12(14(21-2)15(13)22-3)16(19)17-6-7-18-8-10-23-11-9-18/h4-5H,6-11H2,1-3H3,(H,17,19).
What are the key properties of 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide?
2,3,4-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 2,3,4-trimethoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 5260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).