tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate

C18H28N2O4 — CID 146560509

IUPACtert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate
SMILESCOC1CCC(n2cccc(N(C)C(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)19(4)15-7-6-12-20(16(15)21)13-8-10-14(23-5)11-9-13/h6-7,12-14H,8-11H2,1-5H3
InChIKeyITGDZAHQYRUPHP-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate

tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate (PubChem CID 146560509) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate
PubChem CID146560509
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate
SMILESCOC1CCC(n2cccc(N(C)C(=O)OC(C)(C)C)c2=O)CC1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)19(4)15-7-6-12-20(16(15)21)13-8-10-14(23-5)11-9-13/h6-7,12-14H,8-11H2,1-5H3
InChIKeyITGDZAHQYRUPHP-UHFFFAOYSA-N
XLogP3.35
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate (CID 146560509) is tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate is COC1CCC(n2cccc(N(C)C(=O)OC(C)(C)C)c2=O)CC1.
What is the InChIKey of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate?
The InChIKey is ITGDZAHQYRUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)19(4)15-7-6-12-20(16(15)21)13-8-10-14(23-5)11-9-13/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate?
tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate has a molecular weight of 336.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 146560509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).