tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate

C16H29NO3 — CID 118474472

IUPACtert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate
SMILESCCN(CC(=O)C1CCC(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-6-17(15(19)20-16(3,4)5)11-14(18)13-9-7-12(2)8-10-13/h12-13H,6-11H2,1-5H3
InChIKeyZFQLIPKQQUYKRF-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate

tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate (PubChem CID 118474472) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate
PubChem CID118474472
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate
SMILESCCN(CC(=O)C1CCC(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-6-17(15(19)20-16(3,4)5)11-14(18)13-9-7-12(2)8-10-13/h12-13H,6-11H2,1-5H3
InChIKeyZFQLIPKQQUYKRF-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate 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-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate (CID 118474472) is tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate is CCN(CC(=O)C1CCC(C)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate?
The InChIKey is ZFQLIPKQQUYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-17(15(19)20-16(3,4)5)11-14(18)13-9-7-12(2)8-10-13/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate?
tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(4-methylcyclohexyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 118474472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).