tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate

C13H24N2O3 — CID 91554229

IUPACtert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(4)10-7-5-9(6-8-10)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyRVFFSPZCYDNGBO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate

tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate (PubChem CID 91554229) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
PubChem CID91554229
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(4)10-7-5-9(6-8-10)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyRVFFSPZCYDNGBO-UHFFFAOYSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(4-carbamoylcyclohexyl)-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

Related Compounds

methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl N-[4-[3-(dimethylamino)-3-oxoprop-1-ynyl]cyclohexyl]-N-methylcarbamate
CID 69198181
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]cyclohexane-1-carboxylate
CID 110031868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate (CID 91554229) is tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(C(N)=O)CC1.
What is the InChIKey of tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate?
The InChIKey is RVFFSPZCYDNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(4)10-7-5-9(6-8-10)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate?
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate has a molecular weight of 256.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 91554229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).