3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C16H24N2O4 — CID 2163734

IUPAC3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-14-10-13(11-15(12-14)21-2)16(19)17-4-3-5-18-6-8-22-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyZSVNZECOKWHYAB-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.16
Rot. Bonds7

About 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2163734) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2163734
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O4/c1-20-14-10-13(11-15(12-14)21-2)16(19)17-4-3-5-18-6-8-22-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyZSVNZECOKWHYAB-UHFFFAOYSA-N
XLogP1.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 2163734) is 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(OC)cc(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is ZSVNZECOKWHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-14-10-13(11-15(12-14)21-2)16(19)17-4-3-5-18-6-8-22-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2163734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).