hexadecyl N-diazocarbamate

C17H33N3O2 — CID 13247383

IUPAChexadecyl N-diazocarbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)N=[N+]=[N-]
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17(21)19-20-18/h2-16H2,1H3
InChIKeyVLPHXVPHCXBBIU-UHFFFAOYSA-N
MW311.47 g/mol
LogP6.91
Rot. Bonds15

About hexadecyl N-diazocarbamate

hexadecyl N-diazocarbamate (PubChem CID 13247383) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is hexadecyl N-diazocarbamate.

Molecular Properties

Compound Namehexadecyl N-diazocarbamate
PubChem CID13247383
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Namehexadecyl N-diazocarbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)N=[N+]=[N-]
InChIInChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17(21)19-20-18/h2-16H2,1H3
InChIKeyVLPHXVPHCXBBIU-UHFFFAOYSA-N
XLogP6.91
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[diazo(dodecoxy)methoxy]dodecane
CID 150858409
triheptacontyl hydrogen carbonate
CID 142754463
octacosyl carbamate
CID 160925840
heptaheptacontyl hydrogen carbonate
CID 162768324
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
octoxycarbonyliminocarbamic acid
CID 90272761
2-trimethylsilylethyl N-diazocarbamate
CID 11106088
hexyl 2-diazopropanoate
CID 164520840
azane;nonyl hydrogen carbonate
CID 175306231
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-diazocarbamate?
The IUPAC name of hexadecyl N-diazocarbamate (CID 13247383) is hexadecyl N-diazocarbamate.
What is the SMILES notation for hexadecyl N-diazocarbamate?
The canonical SMILES for hexadecyl N-diazocarbamate is CCCCCCCCCCCCCCCCOC(=O)N=[N+]=[N-].
What is the InChIKey of hexadecyl N-diazocarbamate?
The InChIKey is VLPHXVPHCXBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17(21)19-20-18/h2-16H2,1H3.
What are the key properties of hexadecyl N-diazocarbamate?
hexadecyl N-diazocarbamate has a molecular weight of 311.47 g/mol, XLogP of 6.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-diazocarbamate is sourced from PubChem (CID 13247383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).