ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate

C19H23NO2 — CID 175234972

IUPACethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
SMILESCCOC(=O)C(C)(CCCc1ccccc1)c1cccnc1
InChIInChI=1S/C19H23NO2/c1-3-22-18(21)19(2,17-12-8-14-20-15-17)13-7-11-16-9-5-4-6-10-16/h4-6,8-10,12,14-15H,3,7,11,13H2,1-2H3
InChIKeyFVBQPZOPWUQINF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.93
Rot. Bonds7

About ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate

ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate (PubChem CID 175234972) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
PubChem CID175234972
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate
SMILESCCOC(=O)C(C)(CCCc1ccccc1)c1cccnc1
InChIInChI=1S/C19H23NO2/c1-3-22-18(21)19(2,17-12-8-14-20-15-17)13-7-11-16-9-5-4-6-10-16/h4-6,8-10,12,14-15H,3,7,11,13H2,1-2H3
InChIKeyFVBQPZOPWUQINF-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
1-O-ethyl 3-O-(3-phenylpropyl) 2,2-dimethylpropanedioate
CID 91710074
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
ethyl 5-[4-(5-ethoxy-4,4-dimethyl-5-oxopentyl)phenyl]-2,2-dimethylpentanoate
CID 15721442
diethyl 2-[3-(4-methylphenyl)propyl]-2-(2-phenylethyl)propanedioate
CID 70552408
ethyl 2-(aminomethyl)-2-ethyl-6-phenylhexanoate
CID 106487514
ethyl 2-methoxy-2-(2-methylphenyl)-2-pyridin-3-ylacetate
CID 54223588
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate?
The IUPAC name of ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate (CID 175234972) is ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate.
What is the SMILES notation for ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate?
The canonical SMILES for ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate is CCOC(=O)C(C)(CCCc1ccccc1)c1cccnc1.
What is the InChIKey of ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate?
The InChIKey is FVBQPZOPWUQINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-22-18(21)19(2,17-12-8-14-20-15-17)13-7-11-16-9-5-4-6-10-16/h4-6,8-10,12,14-15H,3,7,11,13H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate?
ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate has a molecular weight of 297.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-phenyl-2-pyridin-3-ylpentanoate is sourced from PubChem (CID 175234972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).