3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

C19H21N3O2 — CID 110666698

IUPAC3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1C
InChIInChI=1S/C19H21N3O2/c1-13-4-5-15(12-14(13)2)18(23)21-16-6-8-17(9-7-16)22-11-3-10-20-19(22)24/h4-9,12H,3,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyGCUQELOIPBRFGA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.48
Rot. Bonds3

About 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (PubChem CID 110666698) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
PubChem CID110666698
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1C
InChIInChI=1S/C19H21N3O2/c1-13-4-5-15(12-14(13)2)18(23)21-16-6-8-17(9-7-16)22-11-3-10-20-19(22)24/h4-9,12H,3,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyGCUQELOIPBRFGA-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51300167
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
3-(dimethylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299898
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 78831513
3-methyl-N-[4-(methylcarbamoyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60566894

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (CID 110666698) is 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The InChIKey is GCUQELOIPBRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-5-15(12-14(13)2)18(23)21-16-6-8-17(9-7-16)22-11-3-10-20-19(22)24/h4-9,12H,3,10-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is sourced from PubChem (CID 110666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).