propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C16H29NO3 — CID 145380244

IUPACpropan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)(C)OCCC1=CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-6-16(4,5)19-12-9-14-7-10-17(11-8-14)15(18)20-13(2)3/h7,13H,6,8-12H2,1-5H3
InChIKeyJJRWRVMYAZXSAI-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.76
Rot. Bonds6

About propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 145380244) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID145380244
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namepropan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(C)(C)OCCC1=CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-6-16(4,5)19-12-9-14-7-10-17(11-8-14)15(18)20-13(2)3/h7,13H,6,8-12H2,1-5H3
InChIKeyJJRWRVMYAZXSAI-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 145380244) is propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCC(C)(C)OCCC1=CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JJRWRVMYAZXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-16(4,5)19-12-9-14-7-10-17(11-8-14)15(18)20-13(2)3/h7,13H,6,8-12H2,1-5H3.
What are the key properties of propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-(2-methylbutan-2-yloxy)ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 145380244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).