ethyl N-cyclohexyl-N-octadecoxycarbamate

C27H53NO3 — CID 149251240

IUPACethyl N-cyclohexyl-N-octadecoxycarbamate
SMILESCCCCCCCCCCCCCCCCCCON(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C27H53NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-28(27(29)30-4-2)26-23-20-19-21-24-26/h26H,3-25H2,1-2H3
InChIKeyHYAYQIJXKCKJCY-UHFFFAOYSA-N
MW439.73 g/mol
LogP8.97
Rot. Bonds20

About ethyl N-cyclohexyl-N-octadecoxycarbamate

ethyl N-cyclohexyl-N-octadecoxycarbamate (PubChem CID 149251240) has the molecular formula C27H53NO3 and a molecular weight of 439.73 g/mol. Its IUPAC name is ethyl N-cyclohexyl-N-octadecoxycarbamate.

Molecular Properties

Compound Nameethyl N-cyclohexyl-N-octadecoxycarbamate
PubChem CID149251240
Molecular FormulaC27H53NO3
Molecular Weight439.73 g/mol
Exact Mass439.40
IUPAC Nameethyl N-cyclohexyl-N-octadecoxycarbamate
SMILESCCCCCCCCCCCCCCCCCCON(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C27H53NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-28(27(29)30-4-2)26-23-20-19-21-24-26/h26H,3-25H2,1-2H3
InChIKeyHYAYQIJXKCKJCY-UHFFFAOYSA-N
XLogP8.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[2-(methylamino)ethoxy]octanamide
CID 170293250
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
butyl N,N-dicyclohexylcarbamate
CID 13416417
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
CID 169317552
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)octanamide;methane
CID 158754691
2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
nonyl cyclopentanecarboxylate
CID 575427
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
CID 21389985
dipentyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate
CID 139989336

Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclohexyl-N-octadecoxycarbamate?
The IUPAC name of ethyl N-cyclohexyl-N-octadecoxycarbamate (CID 149251240) is ethyl N-cyclohexyl-N-octadecoxycarbamate.
What is the SMILES notation for ethyl N-cyclohexyl-N-octadecoxycarbamate?
The canonical SMILES for ethyl N-cyclohexyl-N-octadecoxycarbamate is CCCCCCCCCCCCCCCCCCON(C(=O)OCC)C1CCCCC1.
What is the InChIKey of ethyl N-cyclohexyl-N-octadecoxycarbamate?
The InChIKey is HYAYQIJXKCKJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-28(27(29)30-4-2)26-23-20-19-21-24-26/h26H,3-25H2,1-2H3.
What are the key properties of ethyl N-cyclohexyl-N-octadecoxycarbamate?
ethyl N-cyclohexyl-N-octadecoxycarbamate has a molecular weight of 439.73 g/mol, XLogP of 8.97, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohexyl-N-octadecoxycarbamate is sourced from PubChem (CID 149251240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).