azane;octyl N-octylcarbamate

C17H38N2O2 — CID 175531380

IUPACazane;octyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCCCCCC.N
InChIInChI=1S/C17H35NO2.H3N/c1-3-5-7-9-11-13-15-18-17(19)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);1H3
InChIKeyBKTIWEYDTZCION-UHFFFAOYSA-N
MW302.50 g/mol
LogP5.60
Rot. Bonds14

About azane;octyl N-octylcarbamate

azane;octyl N-octylcarbamate (PubChem CID 175531380) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is azane;octyl N-octylcarbamate.

Molecular Properties

Compound Nameazane;octyl N-octylcarbamate
PubChem CID175531380
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Nameazane;octyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCCCCCC.N
InChIInChI=1S/C17H35NO2.H3N/c1-3-5-7-9-11-13-15-18-17(19)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);1H3
InChIKeyBKTIWEYDTZCION-UHFFFAOYSA-N
XLogP5.60
TPSA73.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
hexyl N-tetradecylcarbamate
CID 91739120
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
octadecyl N-propylcarbamate
CID 175015942
2-hydroxyethyl N-heptylcarbamate
CID 124705283
12-(hexylcarbamoyloxy)dodeca-5,7-diynyl N-hexylcarbamate
CID 102402136
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
12-(heptylcarbamoyloxy)dodeca-5,7-diynyl N-heptylcarbamate
CID 102402143
2-bromoethyl N-octadecylcarbamate
CID 59133738
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of azane;octyl N-octylcarbamate?
The IUPAC name of azane;octyl N-octylcarbamate (CID 175531380) is azane;octyl N-octylcarbamate.
What is the SMILES notation for azane;octyl N-octylcarbamate?
The canonical SMILES for azane;octyl N-octylcarbamate is CCCCCCCCNC(=O)OCCCCCCCC.N.
What is the InChIKey of azane;octyl N-octylcarbamate?
The InChIKey is BKTIWEYDTZCION-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.H3N/c1-3-5-7-9-11-13-15-18-17(19)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);1H3.
What are the key properties of azane;octyl N-octylcarbamate?
azane;octyl N-octylcarbamate has a molecular weight of 302.50 g/mol, XLogP of 5.60, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octyl N-octylcarbamate is sourced from PubChem (CID 175531380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).