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

C18H28N2O4 — CID 3645341

IUPAC3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C18H28N2O4/c1-3-23-16-12-15(13-17(14-16)24-4-2)18(21)19-6-5-7-20-8-10-22-11-9-20/h12-14H,3-11H2,1-2H3,(H,19,21)
InChIKeyOSJZGOVFUFQCLS-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.94
Rot. Bonds9

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

3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3645341) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3645341
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C18H28N2O4/c1-3-23-16-12-15(13-17(14-16)24-4-2)18(21)19-6-5-7-20-8-10-22-11-9-20/h12-14H,3-11H2,1-2H3,(H,19,21)
InChIKeyOSJZGOVFUFQCLS-UHFFFAOYSA-N
XLogP1.94
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.94
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-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 3645341) is 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCOc1cc(OCC)cc(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OSJZGOVFUFQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-23-16-12-15(13-17(14-16)24-4-2)18(21)19-6-5-7-20-8-10-22-11-9-20/h12-14H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 336.43 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3645341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).