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

C16H24N2O4 — CID 2183977

IUPAC3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-20-14-5-4-13(12-15(14)21-2)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyKIPPFNAJTDGBTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.16
Rot. Bonds7

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

3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2183977) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2183977
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C16H24N2O4/c1-20-14-5-4-13(12-15(14)21-2)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyKIPPFNAJTDGBTH-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 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 2183977) is 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(C(=O)NCCCN2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is KIPPFNAJTDGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-14-5-4-13(12-15(14)21-2)16(19)17-6-3-7-18-8-10-22-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19).
What are the key properties of 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
3,4-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 3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2183977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).