methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate

C23H25NO3 — CID 13242150

IUPACmethyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C23H25NO3/c1-15-8-7-9-18(12-15)14-27-21-11-6-5-10-19(21)20-13-16(2)24-17(3)22(20)23(25)26-4/h5-13,20,24H,14H2,1-4H3
InChIKeyYORURGVEJHKVNN-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.61
Rot. Bonds5

About methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate

methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate (PubChem CID 13242150) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate
PubChem CID13242150
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Namemethyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(C)c1
InChIInChI=1S/C23H25NO3/c1-15-8-7-9-18(12-15)14-27-21-11-6-5-10-19(21)20-13-16(2)24-17(3)22(20)23(25)26-4/h5-13,20,24H,14H2,1-4H3
InChIKeyYORURGVEJHKVNN-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 13242151
[4-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70450334
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
methyl (4S)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7500288
methyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2888971
methyl (4S)-4-[2-[2-[2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98152304
methyl (4S)-4-[2-[[2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98152299
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750
methyl (4R)-6-(4-chlorophenyl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124541502
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
5-[(3-methylphenyl)methoxy]-4-oxo-1H-pyridine-2-carboxylic acid
CID 82017868

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate (CID 13242150) is methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(C)c1.
What is the InChIKey of methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate?
The InChIKey is YORURGVEJHKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15-8-7-9-18(12-15)14-27-21-11-6-5-10-19(21)20-13-16(2)24-17(3)22(20)23(25)26-4/h5-13,20,24H,14H2,1-4H3.
What are the key properties of methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate?
methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 13242150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).