[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea

C17H32N4O — CID 129441124

IUPAC[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea
SMILESNC(=O)N/N=N/[C@H]1CCCCCCC=CCCCCCCC1
InChIInChI=1S/C17H32N4O/c18-17(22)20-21-19-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2,16H,3-15H2,(H3,18,19,20,22)/t16-/m0/s1
InChIKeyXSRDJXVEKQUBST-INIZCTEOSA-N
MW308.47 g/mol
LogP5.03
Rot. Bonds2

About [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea

[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea (PubChem CID 129441124) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea.

Molecular Properties

Compound Name[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea
PubChem CID129441124
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea
SMILESNC(=O)N/N=N/[C@H]1CCCCCCC=CCCCCCCC1
InChIInChI=1S/C17H32N4O/c18-17(22)20-21-19-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2,16H,3-15H2,(H3,18,19,20,22)/t16-/m0/s1
InChIKeyXSRDJXVEKQUBST-INIZCTEOSA-N
XLogP5.03
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;cyclooctene
CID 161186055
cyclododecene;cyclohexylcyclohexane
CID 173310836
(1Z)-6-chlorocyclopentadecene
CID 138480861
cyclohexene;1,1-diaminourea
CID 174496522
(5E)-cyclohexadec-5-en-1-ol
CID 11402176
4-aminobutanamide;cycloheptene;hydrochloride
CID 174516448
3-cyclohexyliminopropanamide
CID 91368526
cyclodec-3-ene-1-carboxylic acid
CID 68707781
2,2,2-trichloroacetic acid;1,1,2-tricyclohexylguanidine
CID 19868551
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359

Frequently Asked Questions

What is the IUPAC name of [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea?
The IUPAC name of [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea (CID 129441124) is [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea.
What is the SMILES notation for [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea?
The canonical SMILES for [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea is NC(=O)N/N=N/[C@H]1CCCCCCC=CCCCCCCC1.
What is the InChIKey of [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea?
The InChIKey is XSRDJXVEKQUBST-INIZCTEOSA-N. The full InChI is InChI=1S/C17H32N4O/c18-17(22)20-21-19-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2,16H,3-15H2,(H3,18,19,20,22)/t16-/m0/s1.
What are the key properties of [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea?
[[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea has a molecular weight of 308.47 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-cyclohexadec-8-en-1-yl]diazenyl]urea is sourced from PubChem (CID 129441124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).