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

C21H26N2O3 — CID 27441296

IUPAC4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-10-8-18(9-11-19)21(24)22-12-5-13-23-14-15-26-20(16-23)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyVBQMVTKLDIKUEG-HXUWFJFHSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds7

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

4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (PubChem CID 27441296) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
PubChem CID27441296
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-10-8-18(9-11-19)21(24)22-12-5-13-23-14-15-26-20(16-23)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyVBQMVTKLDIKUEG-HXUWFJFHSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (CID 27441296) is 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is COc1ccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The InChIKey is VBQMVTKLDIKUEG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-10-8-18(9-11-19)21(24)22-12-5-13-23-14-15-26-20(16-23)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is sourced from PubChem (CID 27441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).