henicosyl N-aminocarbamate

C22H46N2O2 — CID 174861039

IUPAChenicosyl N-aminocarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCOC(=O)NN
InChIInChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22(25)24-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyZBXOGVIGNZYNGX-UHFFFAOYSA-N
MW370.62 g/mol
LogP7.02
Rot. Bonds20

About henicosyl N-aminocarbamate

henicosyl N-aminocarbamate (PubChem CID 174861039) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is henicosyl N-aminocarbamate.

Molecular Properties

Compound Namehenicosyl N-aminocarbamate
PubChem CID174861039
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Namehenicosyl N-aminocarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCOC(=O)NN
InChIInChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22(25)24-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyZBXOGVIGNZYNGX-UHFFFAOYSA-N
XLogP7.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octyl N-aminocarbamate
CID 129323256
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
azane;octyl N-octylcarbamate
CID 175531380
dioctyl propanedioate;titanium
CID 174779164
azane;dioctyl carbonate
CID 174626203
dodecoxycarbonylcarbamic acid
CID 19778443
hexyl N-tetradecylcarbamate
CID 91739120
methyl N-hexoxycarbonylcarbamate
CID 153299552
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556

Frequently Asked Questions

What is the IUPAC name of henicosyl N-aminocarbamate?
The IUPAC name of henicosyl N-aminocarbamate (CID 174861039) is henicosyl N-aminocarbamate.
What is the SMILES notation for henicosyl N-aminocarbamate?
The canonical SMILES for henicosyl N-aminocarbamate is CCCCCCCCCCCCCCCCCCCCCOC(=O)NN.
What is the InChIKey of henicosyl N-aminocarbamate?
The InChIKey is ZBXOGVIGNZYNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-22(25)24-23/h2-21,23H2,1H3,(H,24,25).
What are the key properties of henicosyl N-aminocarbamate?
henicosyl N-aminocarbamate has a molecular weight of 370.62 g/mol, XLogP of 7.02, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for henicosyl N-aminocarbamate is sourced from PubChem (CID 174861039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).