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

C18H27NO5 — CID 10806866

IUPAC2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)c(=O)ccn1CCOC(=O)C(C)(C)C
InChIInChI=1S/C18H27NO5/c1-12-14(24-16(22)18(5,6)7)13(20)8-9-19(12)10-11-23-15(21)17(2,3)4/h8-9H,10-11H2,1-7H3
InChIKeySVWOSWZMYDUTIT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.70
Rot. Bonds4

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

2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate (PubChem CID 10806866) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
PubChem CID10806866
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)c(=O)ccn1CCOC(=O)C(C)(C)C
InChIInChI=1S/C18H27NO5/c1-12-14(24-16(22)18(5,6)7)13(20)8-9-19(12)10-11-23-15(21)17(2,3)4/h8-9H,10-11H2,1-7H3
InChIKeySVWOSWZMYDUTIT-UHFFFAOYSA-N
XLogP2.70
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.70
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-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate (CID 10806866) is 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate is Cc1c(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-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
The InChIKey is SVWOSWZMYDUTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-12-14(24-16(22)18(5,6)7)13(20)8-9-19(12)10-11-23-15(21)17(2,3)4/h8-9H,10-11H2,1-7H3.
What are the key properties of 2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate?
2-[3-(2,2-dimethylpropanoyloxy)-2-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate has a molecular weight of 337.42 g/mol, XLogP of 2.70, 4 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-methyl-4-oxo-1-pyridinyl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10806866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).