2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate

C19H29NO5 — CID 10498132

IUPAC2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
SMILESCCc1c(OC(=O)C(C)(C)C)c(=O)ccn1CCOC(=O)C(C)(C)C
InChIInChI=1S/C19H29NO5/c1-8-13-15(25-17(23)19(5,6)7)14(21)9-10-20(13)11-12-24-16(22)18(2,3)4/h9-10H,8,11-12H2,1-7H3
InChIKeySHLCIUZOLZGKKT-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate

2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate (PubChem CID 10498132) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
PubChem CID10498132
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
SMILESCCc1c(OC(=O)C(C)(C)C)c(=O)ccn1CCOC(=O)C(C)(C)C
InChIInChI=1S/C19H29NO5/c1-8-13-15(25-17(23)19(5,6)7)14(21)9-10-20(13)11-12-24-16(22)18(2,3)4/h9-10H,8,11-12H2,1-7H3
InChIKeySHLCIUZOLZGKKT-UHFFFAOYSA-N
XLogP2.95
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate (CID 10498132) is 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate is CCc1c(OC(=O)C(C)(C)C)c(=O)ccn1CCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The InChIKey is SHLCIUZOLZGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-8-13-15(25-17(23)19(5,6)7)14(21)9-10-20(13)11-12-24-16(22)18(2,3)4/h9-10H,8,11-12H2,1-7H3.
What are the key properties of 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate has a molecular weight of 351.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropanoyloxy)-2-ethyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10498132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).