tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate

C16H30N2O3 — CID 59316038

IUPACtert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
SMILESCC(C)(C)NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)18-13(19)11-7-9-12(10-8-11)17-14(20)21-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyYKXVWPCITRHAOG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate

tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate (PubChem CID 59316038) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
PubChem CID59316038
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
SMILESCC(C)(C)NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)18-13(19)11-7-9-12(10-8-11)17-14(20)21-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyYKXVWPCITRHAOG-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
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tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(but-3-yn-2-ylcarbamoyl)cyclohexyl]carbamate
CID 139335530
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate (CID 59316038) is tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate is CC(C)(C)NC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate?
The InChIKey is YKXVWPCITRHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)18-13(19)11-7-9-12(10-8-11)17-14(20)21-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate?
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate is sourced from PubChem (CID 59316038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).