hexadecyl N-cyclohexylcarbamate

C23H45NO2 — CID 46229791

IUPAChexadecyl N-cyclohexylcarbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-23(25)24-22-19-16-15-17-20-22/h22H,2-21H2,1H3,(H,24,25)
InChIKeyNKPNEOYKZGDTHM-UHFFFAOYSA-N
MW367.62 g/mol
LogP7.53
Rot. Bonds16

About hexadecyl N-cyclohexylcarbamate

hexadecyl N-cyclohexylcarbamate (PubChem CID 46229791) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is hexadecyl N-cyclohexylcarbamate.

Molecular Properties

Compound Namehexadecyl N-cyclohexylcarbamate
PubChem CID46229791
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Namehexadecyl N-cyclohexylcarbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-23(25)24-22-19-16-15-17-20-22/h22H,2-21H2,1H3,(H,24,25)
InChIKeyNKPNEOYKZGDTHM-UHFFFAOYSA-N
XLogP7.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 57.53
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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Frequently Asked Questions

What is the IUPAC name of hexadecyl N-cyclohexylcarbamate?
The IUPAC name of hexadecyl N-cyclohexylcarbamate (CID 46229791) is hexadecyl N-cyclohexylcarbamate.
What is the SMILES notation for hexadecyl N-cyclohexylcarbamate?
The canonical SMILES for hexadecyl N-cyclohexylcarbamate is CCCCCCCCCCCCCCCCOC(=O)NC1CCCCC1.
What is the InChIKey of hexadecyl N-cyclohexylcarbamate?
The InChIKey is NKPNEOYKZGDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-23(25)24-22-19-16-15-17-20-22/h22H,2-21H2,1H3,(H,24,25).
What are the key properties of hexadecyl N-cyclohexylcarbamate?
hexadecyl N-cyclohexylcarbamate has a molecular weight of 367.62 g/mol, XLogP of 7.53, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-cyclohexylcarbamate is sourced from PubChem (CID 46229791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).