2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide

C16H24N2O2 — CID 2201629

IUPAC2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-13-4-5-15(14(2)12-13)16(19)17-6-3-7-18-8-10-20-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyFNJFSFDFDUNBGA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

About 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide

2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2201629) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2201629
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-13-4-5-15(14(2)12-13)16(19)17-6-3-7-18-8-10-20-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19)
InChIKeyFNJFSFDFDUNBGA-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 2201629) is 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(C(=O)NCCCN2CCOCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FNJFSFDFDUNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-5-15(14(2)12-13)16(19)17-6-3-7-18-8-10-20-11-9-18/h4-5,12H,3,6-11H2,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2201629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).