4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide

C23H28N2O3 — CID 126428735

IUPAC4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)N(C)C[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(25-12-14-28-15-13-25)16-24(3)23(27)20-10-8-19(9-11-20)22-7-5-4-6-21(22)18(2)26/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1
InChIKeyYOFKLJUZPDPMQT-KRWDZBQOSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds6

About 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide

4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide (PubChem CID 126428735) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide
PubChem CID126428735
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide
SMILESCC(=O)c1ccccc1-c1ccc(C(=O)N(C)C[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(25-12-14-28-15-13-25)16-24(3)23(27)20-10-8-19(9-11-20)22-7-5-4-6-21(22)18(2)26/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1
InChIKeyYOFKLJUZPDPMQT-KRWDZBQOSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-acetylphenyl)-N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]benzamide
CID 126428736
N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
CID 95551014
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
CID 126449800
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 165423093
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide?
The IUPAC name of 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide (CID 126428735) is 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide.
What is the SMILES notation for 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide?
The canonical SMILES for 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide is CC(=O)c1ccccc1-c1ccc(C(=O)N(C)C[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide?
The InChIKey is YOFKLJUZPDPMQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(25-12-14-28-15-13-25)16-24(3)23(27)20-10-8-19(9-11-20)22-7-5-4-6-21(22)18(2)26/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1.
What are the key properties of 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide?
4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide is sourced from PubChem (CID 126428735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).