hexyl N-tetradecylcarbamate

C21H43NO2 — CID 91739120

IUPAChexyl N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCNC(=O)OCCCCCC
InChIInChI=1S/C21H43NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-21(23)24-20-18-8-6-4-2/h3-20H2,1-2H3,(H,22,23)
InChIKeyLMEQQUQUGURWOT-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.99
Rot. Bonds18

About hexyl N-tetradecylcarbamate

hexyl N-tetradecylcarbamate (PubChem CID 91739120) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is hexyl N-tetradecylcarbamate.

Molecular Properties

Compound Namehexyl N-tetradecylcarbamate
PubChem CID91739120
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Namehexyl N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCNC(=O)OCCCCCC
InChIInChI=1S/C21H43NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-21(23)24-20-18-8-6-4-2/h3-20H2,1-2H3,(H,22,23)
InChIKeyLMEQQUQUGURWOT-UHFFFAOYSA-N
XLogP6.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.99
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

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
octadecyl N-propylcarbamate
CID 175015942
2-hydroxyethyl N-heptylcarbamate
CID 124705283
12-(heptylcarbamoyloxy)dodeca-5,7-diynyl N-heptylcarbamate
CID 102402143
12-(hexylcarbamoyloxy)dodeca-5,7-diynyl N-hexylcarbamate
CID 102402136
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of hexyl N-tetradecylcarbamate?
The IUPAC name of hexyl N-tetradecylcarbamate (CID 91739120) is hexyl N-tetradecylcarbamate.
What is the SMILES notation for hexyl N-tetradecylcarbamate?
The canonical SMILES for hexyl N-tetradecylcarbamate is CCCCCCCCCCCCCCNC(=O)OCCCCCC.
What is the InChIKey of hexyl N-tetradecylcarbamate?
The InChIKey is LMEQQUQUGURWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-21(23)24-20-18-8-6-4-2/h3-20H2,1-2H3,(H,22,23).
What are the key properties of hexyl N-tetradecylcarbamate?
hexyl N-tetradecylcarbamate has a molecular weight of 341.58 g/mol, XLogP of 6.99, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-tetradecylcarbamate is sourced from PubChem (CID 91739120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).