tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate

C15H28N2O3 — CID 66792219

IUPACtert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate
SMILESC[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10-7-8-11(13(18)17(5)6)9-12(10)16-14(19)20-15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,19)/t10-,11-,12+/m0/s1
InChIKeyGVIPKFRLOSSNRF-SDDRHHMPSA-N
MW284.40 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate

tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate (PubChem CID 66792219) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate
PubChem CID66792219
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate
SMILESC[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10-7-8-11(13(18)17(5)6)9-12(10)16-14(19)20-15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,19)/t10-,11-,12+/m0/s1
InChIKeyGVIPKFRLOSSNRF-SDDRHHMPSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 46913549
tert-butyl N-[(1R,2S,5R)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate
CID 124648941
tert-butyl N-[(1S,2R,5R)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate
CID 124705769
tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate
CID 118033759
[(1R,2R,4S)-4-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] methanesulfonate
CID 58084194
tert-butyl N-[(1R,2S,5R)-2-azido-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 124647327
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
trans-(3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 70039647
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-3-hydroxypropanoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 59676951
[(1R,2S,4S)-4-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]cyclohexyl] methanesulfonate
CID 118661232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate (CID 66792219) is tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate is C[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate?
The InChIKey is GVIPKFRLOSSNRF-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-7-8-11(13(18)17(5)6)9-12(10)16-14(19)20-15(2,3)4/h10-12H,7-9H2,1-6H3,(H,16,19)/t10-,11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate?
tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate is sourced from PubChem (CID 66792219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).