methyl N-cyclohexadecylcarbamate

C18H35NO2 — CID 131977131

IUPACmethyl N-cyclohexadecylcarbamate
SMILESCOC(=O)NC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C18H35NO2/c1-21-18(20)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h17H,2-16H2,1H3,(H,19,20)
InChIKeyULHBUJGVPUKUFS-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.58
Rot. Bonds1

About methyl N-cyclohexadecylcarbamate

methyl N-cyclohexadecylcarbamate (PubChem CID 131977131) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is methyl N-cyclohexadecylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclohexadecylcarbamate
PubChem CID131977131
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Namemethyl N-cyclohexadecylcarbamate
SMILESCOC(=O)NC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C18H35NO2/c1-21-18(20)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h17H,2-16H2,1H3,(H,19,20)
InChIKeyULHBUJGVPUKUFS-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
propan-2-yl N-cyclooctylcarbamate
CID 116653938
cyclopentylcarbamoperoxoic acid
CID 143557914
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
cyclohexyl N-cyclopentylcarbamate
CID 127539095
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
1-cycloheptyl-3-methoxyurea
CID 126986046
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
cyclododecyl N-cyclobutylcarbamate
CID 135210614
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclohexadecylcarbamate?
The IUPAC name of methyl N-cyclohexadecylcarbamate (CID 131977131) is methyl N-cyclohexadecylcarbamate.
What is the SMILES notation for methyl N-cyclohexadecylcarbamate?
The canonical SMILES for methyl N-cyclohexadecylcarbamate is COC(=O)NC1CCCCCCCCCCCCCCC1.
What is the InChIKey of methyl N-cyclohexadecylcarbamate?
The InChIKey is ULHBUJGVPUKUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-21-18(20)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-17/h17H,2-16H2,1H3,(H,19,20).
What are the key properties of methyl N-cyclohexadecylcarbamate?
methyl N-cyclohexadecylcarbamate has a molecular weight of 297.48 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohexadecylcarbamate is sourced from PubChem (CID 131977131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).