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

C21H23N3O2 — CID 16892547

IUPAC4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2/c22-15-17-7-9-19(10-8-17)21(25)23-11-4-12-24-13-14-26-20(16-24)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-14,16H2,(H,23,25)
InChIKeyREPWBXIWDPYBDK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.75
Rot. Bonds6

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

4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892547) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892547
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O2/c22-15-17-7-9-19(10-8-17)21(25)23-11-4-12-24-13-14-26-20(16-24)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-14,16H2,(H,23,25)
InChIKeyREPWBXIWDPYBDK-UHFFFAOYSA-N
XLogP2.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.75
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-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
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
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892547) is 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is N#Cc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is REPWBXIWDPYBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-15-17-7-9-19(10-8-17)21(25)23-11-4-12-24-13-14-26-20(16-24)18-5-2-1-3-6-18/h1-3,5-10,20H,4,11-14,16H2,(H,23,25).
What are the key properties of 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).