2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one

C22H33NO — CID 175545877

IUPAC2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one
SMILESCCCC1=C(CCC)C(=O)N(Cc2c(C)cc(C)cc2C)C(C)C1
InChIInChI=1S/C22H33NO/c1-7-9-19-13-18(6)23(22(24)20(19)10-8-2)14-21-16(4)11-15(3)12-17(21)5/h11-12,18H,7-10,13-14H2,1-6H3
InChIKeyWHCHDJHAOYLAKQ-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.63
Rot. Bonds6

About 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one

2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one (PubChem CID 175545877) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one
PubChem CID175545877
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one
SMILESCCCC1=C(CCC)C(=O)N(Cc2c(C)cc(C)cc2C)C(C)C1
InChIInChI=1S/C22H33NO/c1-7-9-19-13-18(6)23(22(24)20(19)10-8-2)14-21-16(4)11-15(3)12-17(21)5/h11-12,18H,7-10,13-14H2,1-6H3
InChIKeyWHCHDJHAOYLAKQ-UHFFFAOYSA-N
XLogP5.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one (CID 175545877) is 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one is CCCC1=C(CCC)C(=O)N(Cc2c(C)cc(C)cc2C)C(C)C1.
What is the InChIKey of 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one?
The InChIKey is WHCHDJHAOYLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-7-9-19-13-18(6)23(22(24)20(19)10-8-2)14-21-16(4)11-15(3)12-17(21)5/h11-12,18H,7-10,13-14H2,1-6H3.
What are the key properties of 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one?
2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one has a molecular weight of 327.51 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 175545877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).