3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide

C23H28N2O3 — CID 16894887

IUPAC3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESCc1ccc(C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1C
InChIInChI=1S/C23H28N2O3/c1-17-10-11-20(15-18(17)2)23(27)24-12-6-9-22(26)25-13-14-28-21(16-25)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyGFAHVCPHBGNWTD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.41
Rot. Bonds6

About 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide

3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide (PubChem CID 16894887) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
PubChem CID16894887
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESCc1ccc(C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1C
InChIInChI=1S/C23H28N2O3/c1-17-10-11-20(15-18(17)2)23(27)24-12-6-9-22(26)25-13-14-28-21(16-25)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyGFAHVCPHBGNWTD-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.41
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 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide (CID 16894887) is 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide is Cc1ccc(C(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The InChIKey is GFAHVCPHBGNWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-10-11-20(15-18(17)2)23(27)24-12-6-9-22(26)25-13-14-28-21(16-25)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,21H,6,9,12-14,16H2,1-2H3,(H,24,27).
What are the key properties of 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide is sourced from PubChem (CID 16894887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).