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

C22H28N2O2 — CID 30851064

IUPAC4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCO[C@@H](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)/t21-/m1/s1
InChIKeyYTRFVYPGZDCKRA-OAQYLSRUSA-N
MW352.48 g/mol
LogP3.44
Rot. Bonds7

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

4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (PubChem CID 30851064) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
PubChem CID30851064
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCO[C@@H](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)/t21-/m1/s1
InChIKeyYTRFVYPGZDCKRA-OAQYLSRUSA-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'}

Analyze 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (CID 30851064) is 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is CCc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The InChIKey is YTRFVYPGZDCKRA-OAQYLSRUSA-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)/t21-/m1/s1.
What are the key properties of 4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
4-ethyl-N-[3-[(2S)-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-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is sourced from PubChem (CID 30851064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).