propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C20H26FNO3 — CID 70322386

IUPACpropyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCCCOC(=O)C1=C(COC)NC(C)=C(C)C1c1ccc(F)cc1C
InChIInChI=1S/C20H26FNO3/c1-6-9-25-20(23)19-17(11-24-5)22-14(4)13(3)18(19)16-8-7-15(21)10-12(16)2/h7-8,10,18,22H,6,9,11H2,1-5H3
InChIKeyPDPIGIKMQCLKSJ-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.97
Rot. Bonds6

About propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate

propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 70322386) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate
PubChem CID70322386
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Namepropyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCCCOC(=O)C1=C(COC)NC(C)=C(C)C1c1ccc(F)cc1C
InChIInChI=1S/C20H26FNO3/c1-6-9-25-20(23)19-17(11-24-5)22-14(4)13(3)18(19)16-8-7-15(21)10-12(16)2/h7-8,10,18,22H,6,9,11H2,1-5H3
InChIKeyPDPIGIKMQCLKSJ-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate with MolForge

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Related Compounds

propan-2-yl 5-cyano-4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 143247177
butyl 5-cyano-4-(4-fluoro-2-methoxyphenyl)-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 70321400
butyl 4-(2-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 11676472
propyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 11517128
diethyl 2-(acetyloxymethyl)-4-(3-fluorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70590356
3,3-dimethylbutyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 11712123
propyl 4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846435
propyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855386
propyl 2,5-difluorobenzoate
CID 43416946
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
cyclopropylmethyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 70323112
dipropyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 141441215

Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CID 70322386) is propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate is CCCOC(=O)C1=C(COC)NC(C)=C(C)C1c1ccc(F)cc1C.
What is the InChIKey of propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is PDPIGIKMQCLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-6-9-25-20(23)19-17(11-24-5)22-14(4)13(3)18(19)16-8-7-15(21)10-12(16)2/h7-8,10,18,22H,6,9,11H2,1-5H3.
What are the key properties of propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 347.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-5,6-dimethyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 70322386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).