4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide

C20H25N3O2 — CID 110743314

IUPAC4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCN1CCOC(c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)C1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-9-7-15(8-10-18)20(24)21-17-6-4-5-16(13-17)19-14-23(3)11-12-25-19/h4-10,13,19H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyJNMIFSQEQRMCHP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.01
Rot. Bonds4

About 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide

4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide (PubChem CID 110743314) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
PubChem CID110743314
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCN1CCOC(c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)C1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-9-7-15(8-10-18)20(24)21-17-6-4-5-16(13-17)19-14-23(3)11-12-25-19/h4-10,13,19H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyJNMIFSQEQRMCHP-UHFFFAOYSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide (CID 110743314) is 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide is CN1CCOC(c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)C1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
The InChIKey is JNMIFSQEQRMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)18-9-7-15(8-10-18)20(24)21-17-6-4-5-16(13-17)19-14-23(3)11-12-25-19/h4-10,13,19H,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide?
4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(4-methylmorpholin-2-yl)phenyl]benzamide is sourced from PubChem (CID 110743314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).