octadecyl N-cyclohexylcarbamate

C25H49NO2 — CID 70449091

IUPACoctadecyl N-cyclohexylcarbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25(27)26-24-21-18-17-19-22-24/h24H,2-23H2,1H3,(H,26,27)
InChIKeyTWHAUMDDDFZKHN-UHFFFAOYSA-N
MW395.67 g/mol
LogP8.31
Rot. Bonds18

About octadecyl N-cyclohexylcarbamate

octadecyl N-cyclohexylcarbamate (PubChem CID 70449091) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is octadecyl N-cyclohexylcarbamate.

Molecular Properties

Compound Nameoctadecyl N-cyclohexylcarbamate
PubChem CID70449091
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Nameoctadecyl N-cyclohexylcarbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25(27)26-24-21-18-17-19-22-24/h24H,2-23H2,1H3,(H,26,27)
InChIKeyTWHAUMDDDFZKHN-UHFFFAOYSA-N
XLogP8.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octadecyl N-cyclohexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octyl N-cyclohexylcarbamate
CID 141434119
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 octadecyl N-cyclohexylcarbamate?
The IUPAC name of octadecyl N-cyclohexylcarbamate (CID 70449091) is octadecyl N-cyclohexylcarbamate.
What is the SMILES notation for octadecyl N-cyclohexylcarbamate?
The canonical SMILES for octadecyl N-cyclohexylcarbamate is CCCCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1.
What is the InChIKey of octadecyl N-cyclohexylcarbamate?
The InChIKey is TWHAUMDDDFZKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25(27)26-24-21-18-17-19-22-24/h24H,2-23H2,1H3,(H,26,27).
What are the key properties of octadecyl N-cyclohexylcarbamate?
octadecyl N-cyclohexylcarbamate has a molecular weight of 395.67 g/mol, XLogP of 8.31, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl N-cyclohexylcarbamate is sourced from PubChem (CID 70449091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).