3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide

C19H23N3O2 — CID 2092690

IUPAC3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-21(2)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-24-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyKDVXARNLCCWYDE-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.84
Rot. Bonds4

About 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide

3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 2092690) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID2092690
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-21(2)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-24-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyKDVXARNLCCWYDE-UHFFFAOYSA-N
XLogP2.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide (CID 2092690) is 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is KDVXARNLCCWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)18-5-3-4-15(14-18)19(23)20-16-6-8-17(9-7-16)22-10-12-24-13-11-22/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide?
3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 2092690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).