4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide

C19H23N3O — CID 72833977

IUPAC4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C=CC(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C19H23N3O/c1-13-12-17(21-14(2)20-13)22-18(23)16-8-6-15(7-9-16)10-11-19(3,4)5/h6-12H,1-5H3,(H,20,21,22,23)
InChIKeyWBMVTTAMMGUHOH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.41
Rot. Bonds3

About 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide

4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide (PubChem CID 72833977) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
PubChem CID72833977
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C=CC(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C19H23N3O/c1-13-12-17(21-14(2)20-13)22-18(23)16-8-6-15(7-9-16)10-11-19(3,4)5/h6-12H,1-5H3,(H,20,21,22,23)
InChIKeyWBMVTTAMMGUHOH-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 11403664
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
CID 11529895
3-(4-tert-butylphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1317013
4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 11417563
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide (CID 72833977) is 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(C=CC(C)(C)C)cc2)nc(C)n1.
What is the InChIKey of 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide?
The InChIKey is WBMVTTAMMGUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-12-17(21-14(2)20-13)22-18(23)16-8-6-15(7-9-16)10-11-19(3,4)5/h6-12H,1-5H3,(H,20,21,22,23).
What are the key properties of 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide?
4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 72833977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).