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

C16H24N2O2 — CID 2200216

IUPAC3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-10-14(2)12-15(11-13)16(19)17-4-3-5-18-6-8-20-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyDWOINDUZVXQESW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

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

3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2200216) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2200216
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-10-14(2)12-15(11-13)16(19)17-4-3-5-18-6-8-20-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyDWOINDUZVXQESW-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 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 2200216) is 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(C)cc(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DWOINDUZVXQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-10-14(2)12-15(11-13)16(19)17-4-3-5-18-6-8-20-9-7-18/h10-12H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
3,5-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 3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2200216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).