4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

C22H28N2O2 — CID 16892501

IUPAC4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-18-9-11-20(12-10-18)22(25)23-13-6-14-24-15-16-26-21(17-24)19-7-4-3-5-8-19/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)
InChIKeyYTRFVYPGZDCKRA-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.44
Rot. Bonds7

About 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892501) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892501
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-18-9-11-20(12-10-18)22(25)23-13-6-14-24-15-16-26-21(17-24)19-7-4-3-5-8-19/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)
InChIKeyYTRFVYPGZDCKRA-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.44
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 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892501) is 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is CCc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is YTRFVYPGZDCKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-18-9-11-20(12-10-18)22(25)23-13-6-14-24-15-16-26-21(17-24)19-7-4-3-5-8-19/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25).
What are the key properties of 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).