phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate

C17H19NO2 — CID 157324077

IUPACphenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
SMILESCC(C)c1cncc(CCC(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13(2)15-10-14(11-18-12-15)8-9-17(19)20-16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3
InChIKeyAKPFVURWZLIUDN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.74
Rot. Bonds5

About phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate

phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate (PubChem CID 157324077) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate.

Molecular Properties

Compound Namephenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
PubChem CID157324077
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namephenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
SMILESCC(C)c1cncc(CCC(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13(2)15-10-14(11-18-12-15)8-9-17(19)20-16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3
InChIKeyAKPFVURWZLIUDN-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
CID 138492197
CID 70464798
CID 70464798
(5-bromo-3-pyridinyl) 3-phenylpropanoate
CID 44583587
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
4-oxo-4-(3-propan-2-ylphenoxy)butanoic acid
CID 94263248
phenyl 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206375
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
phenyl butanoate
CID 20354
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate?
The IUPAC name of phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate (CID 157324077) is phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate.
What is the SMILES notation for phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate?
The canonical SMILES for phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate is CC(C)c1cncc(CCC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate?
The InChIKey is AKPFVURWZLIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(2)15-10-14(11-18-12-15)8-9-17(19)20-16-6-4-3-5-7-16/h3-7,10-13H,8-9H2,1-2H3.
What are the key properties of phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate?
phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate is sourced from PubChem (CID 157324077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).