methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate

C15H27NO2 — CID 54392444

IUPACmethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-18-15(17)16-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyVHPOWUYZQVOWGO-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.87
Rot. Bonds3

About methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate

methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate (PubChem CID 54392444) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
PubChem CID54392444
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H27NO2/c1-18-15(17)16-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyVHPOWUYZQVOWGO-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131977131
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
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methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 126490326
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
4-[[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamoyloxy]-2-methylidenebutanoic acid
CID 154976396
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 71191343
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
methyl N-(4-tert-butylcyclohexyl)carbamate
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1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 139648367

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate (CID 54392444) is methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate is COC(=O)NC1CCC(CC2CCCCC2)CC1.
What is the InChIKey of methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The InChIKey is VHPOWUYZQVOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-18-15(17)16-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate has a molecular weight of 253.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate is sourced from PubChem (CID 54392444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).