1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

C26H31NO5 — CID 71575334

IUPAC1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C26H31NO5/c1-26(2,3)32-25(29)27-16-14-22(20-8-6-5-7-9-20)23(18-27)24(28)31-17-15-19-10-12-21(30-4)13-11-19/h5-13H,14-18H2,1-4H3
InChIKeyCGFZCWYGAKGLEG-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.88
Rot. Bonds6

About 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate (PubChem CID 71575334) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
PubChem CID71575334
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C26H31NO5/c1-26(2,3)32-25(29)27-16-14-22(20-8-6-5-7-9-20)23(18-27)24(28)31-17-15-19-10-12-21(30-4)13-11-19/h5-13H,14-18H2,1-4H3
InChIKeyCGFZCWYGAKGLEG-UHFFFAOYSA-N
XLogP4.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate with MolForge

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 22116092
1-O-tert-butyl 5-O-methyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005628
1-O-tert-butyl 5-O-ethyl 4-(3-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 67329648
1-O-tert-butyl 5-O-methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 68506146
1-O-tert-butyl 5-O-methyl 4-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005572
1-O-tert-butyl 5-O-methyl 4-[3-(methoxymethoxy)phenyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005941
tert-butyl 4-ethyl-5-(4-methoxyphenyl)-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 156626504
2-(4-methylsulfonylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575121
1-O-tert-butyl 5-O-methyl 4-[6-[(3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005730
tert-butyl 5-[cyclopropyl-[[3-methoxy-5-(2-methoxyethoxy)phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177496
1-O-tert-butyl 5-O-methyl 4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 46855924
tert-butyl 5-(cyclopropylcarbamoyl)-4-[3-[(3,5-dimethoxyphenoxy)methyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177547

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate (CID 71575334) is 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate is COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The InChIKey is CGFZCWYGAKGLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-26(2,3)32-25(29)27-16-14-22(20-8-6-5-7-9-20)23(18-27)24(28)31-17-15-19-10-12-21(30-4)13-11-19/h5-13H,14-18H2,1-4H3.
What are the key properties of 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate has a molecular weight of 437.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-[2-(4-methoxyphenyl)ethyl] 4-phenyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate is sourced from PubChem (CID 71575334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).