methyl N-(4-tert-butylcyclohexyl)carbamate

C12H23NO2 — CID 58394494

IUPACmethyl N-(4-tert-butylcyclohexyl)carbamate
SMILESCOC(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)9-5-7-10(8-6-9)13-11(14)15-4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBUDNIVABQKBVCD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.95
Rot. Bonds1

About methyl N-(4-tert-butylcyclohexyl)carbamate

methyl N-(4-tert-butylcyclohexyl)carbamate (PubChem CID 58394494) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl N-(4-tert-butylcyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-tert-butylcyclohexyl)carbamate
PubChem CID58394494
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl N-(4-tert-butylcyclohexyl)carbamate
SMILESCOC(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)9-5-7-10(8-6-9)13-11(14)15-4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBUDNIVABQKBVCD-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 43389301
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-tert-butylcyclohexyl)carbamate?
The IUPAC name of methyl N-(4-tert-butylcyclohexyl)carbamate (CID 58394494) is methyl N-(4-tert-butylcyclohexyl)carbamate.
What is the SMILES notation for methyl N-(4-tert-butylcyclohexyl)carbamate?
The canonical SMILES for methyl N-(4-tert-butylcyclohexyl)carbamate is COC(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl N-(4-tert-butylcyclohexyl)carbamate?
The InChIKey is BUDNIVABQKBVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)9-5-7-10(8-6-9)13-11(14)15-4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl N-(4-tert-butylcyclohexyl)carbamate?
methyl N-(4-tert-butylcyclohexyl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-tert-butylcyclohexyl)carbamate is sourced from PubChem (CID 58394494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).