4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide

C18H20N2O2 — CID 67239574

IUPAC4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-2-4-15(5-3-13)18(21)20-16-8-6-14(7-9-16)17-12-19-10-11-22-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyJQLOXXWCGODIFN-QGZVFWFLSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide

4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide (PubChem CID 67239574) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
PubChem CID67239574
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-2-4-15(5-3-13)18(21)20-16-8-6-14(7-9-16)17-12-19-10-11-22-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyJQLOXXWCGODIFN-QGZVFWFLSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide (CID 67239574) is 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide?
The InChIKey is JQLOXXWCGODIFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-2-4-15(5-3-13)18(21)20-16-8-6-14(7-9-16)17-12-19-10-11-22-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide?
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 67239574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).