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

C16H29NO3 — CID 59470733

IUPACtert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)13(18)11-7-9-12(10-8-11)17-14(19)20-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyLCOVMQICEHVOEE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.69
Rot. Bonds2

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

tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate (PubChem CID 59470733) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
PubChem CID59470733
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)13(18)11-7-9-12(10-8-11)17-14(19)20-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyLCOVMQICEHVOEE-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038
[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-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 172516053
tert-butyl N-[4-(2-diazoacetyl)cyclohexyl]carbamate
CID 91519082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate (CID 59470733) is tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate?
The InChIKey is LCOVMQICEHVOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)13(18)11-7-9-12(10-8-11)17-14(19)20-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate?
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate is sourced from PubChem (CID 59470733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).