dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C24H25NO5 — CID 985408

IUPACdimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO5/c1-15-20(23(26)28-3)22(21(16(2)25-15)24(27)29-4)18-10-12-19(13-11-18)30-14-17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3
InChIKeyAPWYDWRFWROZIT-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.85
Rot. Bonds6

About dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 985408) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID985408
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namedimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO5/c1-15-20(23(26)28-3)22(21(16(2)25-15)24(27)29-4)18-10-12-19(13-11-18)30-14-17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3
InChIKeyAPWYDWRFWROZIT-UHFFFAOYSA-N
XLogP3.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 985408) is dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is APWYDWRFWROZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-15-20(23(26)28-3)22(21(16(2)25-15)24(27)29-4)18-10-12-19(13-11-18)30-14-17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 985408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).