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

C21H26N2O2 — CID 51866491

IUPAC3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-17-7-5-10-19(15-17)21(24)22-11-6-12-23-13-14-25-20(16-23)18-8-3-2-4-9-18/h2-5,7-10,15,20H,6,11-14,16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyMRQZPSIWHOUZIK-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.19
Rot. Bonds6

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

3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (PubChem CID 51866491) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
PubChem CID51866491
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O2/c1-17-7-5-10-19(15-17)21(24)22-11-6-12-23-13-14-25-20(16-23)18-8-3-2-4-9-18/h2-5,7-10,15,20H,6,11-14,16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyMRQZPSIWHOUZIK-HXUWFJFHSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.19
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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Related Compounds

3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-methyl-3-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892657
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (CID 51866491) is 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is Cc1cccc(C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The InChIKey is MRQZPSIWHOUZIK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-7-5-10-19(15-17)21(24)22-11-6-12-23-13-14-25-20(16-23)18-8-3-2-4-9-18/h2-5,7-10,15,20H,6,11-14,16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is sourced from PubChem (CID 51866491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).