octyl N-cyclohexylcarbamate

C15H29NO2 — CID 141434119

IUPACoctyl N-cyclohexylcarbamate
SMILESCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H,16,17)
InChIKeyNMEXTBKEDLMIMA-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.41
Rot. Bonds8

About octyl N-cyclohexylcarbamate

octyl N-cyclohexylcarbamate (PubChem CID 141434119) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is octyl N-cyclohexylcarbamate.

Molecular Properties

Compound Nameoctyl N-cyclohexylcarbamate
PubChem CID141434119
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameoctyl N-cyclohexylcarbamate
SMILESCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H,16,17)
InChIKeyNMEXTBKEDLMIMA-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadecyl N-cyclohexylcarbamate
CID 70449091
hexyl 2-(cyclopentylamino)-2-oxoacetate
CID 6421015
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
dodecyl 2-cyclohexyl-2-(propoxycarbonylamino)acetate
CID 91732540
decyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736837
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
2-bromoethyl N-cyclohexylcarbamate
CID 112683003
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
heptyl N-[3-[2-(heptoxycarbonylamino)ethyl]-3-methylcyclohexyl]carbamate
CID 58338815
4-(4-methylphenyl)butyl N-cyclohexylcarbamate
CID 90359705

Frequently Asked Questions

What is the IUPAC name of octyl N-cyclohexylcarbamate?
The IUPAC name of octyl N-cyclohexylcarbamate (CID 141434119) is octyl N-cyclohexylcarbamate.
What is the SMILES notation for octyl N-cyclohexylcarbamate?
The canonical SMILES for octyl N-cyclohexylcarbamate is CCCCCCCCOC(=O)NC1CCCCC1.
What is the InChIKey of octyl N-cyclohexylcarbamate?
The InChIKey is NMEXTBKEDLMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H,16,17).
What are the key properties of octyl N-cyclohexylcarbamate?
octyl N-cyclohexylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-cyclohexylcarbamate is sourced from PubChem (CID 141434119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).