tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate

C18H28N2O4 — CID 137450548

IUPACtert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1(C)CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-14-7-6-12-20(15(14)21)13-8-10-18(4,23-5)11-9-13/h6-7,12-13H,8-11H2,1-5H3,(H,19,22)
InChIKeyDDXMDLMFMXYBRS-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450548) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450548
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCOC1(C)CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-14-7-6-12-20(15(14)21)13-8-10-18(4,23-5)11-9-13/h6-7,12-13H,8-11H2,1-5H3,(H,19,22)
InChIKeyDDXMDLMFMXYBRS-UHFFFAOYSA-N
XLogP3.72
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate (CID 137450548) is tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate is COC1(C)CCC(n2cccc(NC(=O)OC(C)(C)C)c2=O)CC1.
What is the InChIKey of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is DDXMDLMFMXYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)19-14-7-6-12-20(15(14)21)13-8-10-18(4,23-5)11-9-13/h6-7,12-13H,8-11H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).