tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate

C13H24N2O3 — CID 86778100

IUPACtert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
SMILESCC1CCCCC1(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C13H24N2O3/c1-9-7-5-6-8-13(9,10(14)16)15-11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyRQOPQFRRSOJILM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate

tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate (PubChem CID 86778100) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
PubChem CID86778100
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
SMILESCC1CCCCC1(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C13H24N2O3/c1-9-7-5-6-8-13(9,10(14)16)15-11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyRQOPQFRRSOJILM-UHFFFAOYSA-N
XLogP1.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-1-carbamoyl-2-methylcyclohexyl]carbamate
CID 95903186
tert-butyl N-[(1S,2R)-1-cyano-2-methylcyclohexyl]carbamate
CID 97416660
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate
CID 118317015
2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 64756805
trans-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 154707290
1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate
CID 168919712
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
CID 146088416
2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 81320527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate (CID 86778100) is tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate is CC1CCCCC1(NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate?
The InChIKey is RQOPQFRRSOJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-7-5-6-8-13(9,10(14)16)15-11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate?
tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate is sourced from PubChem (CID 86778100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).