dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate

C23H24N2O5 — CID 8759020

IUPACdimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O5/c1-29-22(27)18-12-19(23(28)30-2)14-20(13-18)24-21(26)15-25-10-8-17(9-11-25)16-6-4-3-5-7-16/h3-8,12-14H,9-11,15H2,1-2H3,(H,24,26)
InChIKeyLBHHBAPDUZLVNZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.99
Rot. Bonds6

About dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 8759020) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID8759020
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Namedimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O5/c1-29-22(27)18-12-19(23(28)30-2)14-20(13-18)24-21(26)15-25-10-8-17(9-11-25)16-6-4-3-5-7-16/h3-8,12-14H,9-11,15H2,1-2H3,(H,24,26)
InChIKeyLBHHBAPDUZLVNZ-UHFFFAOYSA-N
XLogP2.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 27194413
2-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-phenylacetamide
CID 71935444
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759575
N-ethyl-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]acetamide
CID 8754275
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methylphenyl)acetamide
CID 18125015
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4965181
dimethyl 5-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 18292355
N-(2-methylbutan-2-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754375
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate (CID 8759020) is dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is LBHHBAPDUZLVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-29-22(27)18-12-19(23(28)30-2)14-20(13-18)24-21(26)15-25-10-8-17(9-11-25)16-6-4-3-5-7-16/h3-8,12-14H,9-11,15H2,1-2H3,(H,24,26).
What are the key properties of dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 8759020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).