tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate

C13H24N2O3 — CID 141116131

IUPACtert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate
SMILESCNC(=O)N(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(11(16)14-4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyTVUGCUOJACEXJP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate

tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate (PubChem CID 141116131) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate
PubChem CID141116131
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate
SMILESCNC(=O)N(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(11(16)14-4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyTVUGCUOJACEXJP-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-cyclopentyl-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 175729412
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
tert-butyl N-[(1R,2S)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 141045721
tert-butyl N-[(1R,2R)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 96845339
tert-butyl N-[(3S)-9-methyl-2-oxooxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 130204947
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
tert-butyl N-cyclohexyl-N-[(E)-3-oxoprop-1-enyl]carbamate
CID 141158780
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
tert-butyl cyclododecanecarboxylate
CID 154013086

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate (CID 141116131) is tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate is CNC(=O)N(C(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate?
The InChIKey is TVUGCUOJACEXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15(11(16)14-4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate?
tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate is sourced from PubChem (CID 141116131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).