2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide

C17H26N2O2 — CID 3126370

IUPAC2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-11-14(2)16(15(3)12-13)17(20)18-5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyFNRPYSCKGGHXFS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds5

About 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide

2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3126370) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3126370
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-11-14(2)16(15(3)12-13)17(20)18-5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyFNRPYSCKGGHXFS-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
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 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 3126370) is 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(C)c(C(=O)NCCCN2CCOCC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FNRPYSCKGGHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-11-14(2)16(15(3)12-13)17(20)18-5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide?
2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3126370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).