tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate

C15H27NO3 — CID 58100268

IUPACtert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
SMILESCC(C)C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)13(17)11-6-8-12(9-7-11)16-14(18)19-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18)
InChIKeyZARALRAFOFQLTM-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate

tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate (PubChem CID 58100268) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
PubChem CID58100268
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
SMILESCC(C)C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)13(17)11-6-8-12(9-7-11)16-14(18)19-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18)
InChIKeyZARALRAFOFQLTM-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038
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-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
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-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate (CID 58100268) is tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate is CC(C)C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate?
The InChIKey is ZARALRAFOFQLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)13(17)11-6-8-12(9-7-11)16-14(18)19-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate?
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate is sourced from PubChem (CID 58100268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).