18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide

C23H45N5O2S — CID 137156143

IUPAC18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide
SMILES[H]/N=N/N=C(N)CCCCCCCCCCCCCCCCC(=O)NSCCCC(C)=O
InChIInChI=1S/C23H45N5O2S/c1-21(29)17-16-20-31-27-23(30)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-22(24)26-28-25/h2-20H2,1H3,(H,27,30)(H3,24,25,26)
InChIKeyDBVKEXXQLIRXPW-UHFFFAOYSA-N
MW455.71 g/mol
LogP6.66
Rot. Bonds23

About 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide

18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide (PubChem CID 137156143) has the molecular formula C23H45N5O2S and a molecular weight of 455.71 g/mol. Its IUPAC name is 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide.

Molecular Properties

Compound Name18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide
PubChem CID137156143
Molecular FormulaC23H45N5O2S
Molecular Weight455.71 g/mol
Exact Mass455.33
IUPAC Name18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide
SMILES[H]/N=N/N=C(N)CCCCCCCCCCCCCCCCC(=O)NSCCCC(C)=O
InChIInChI=1S/C23H45N5O2S/c1-21(29)17-16-20-31-27-23(30)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-22(24)26-28-25/h2-20H2,1H3,(H,27,30)(H3,24,25,26)
InChIKeyDBVKEXXQLIRXPW-UHFFFAOYSA-N
XLogP6.66
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.71
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-diazenylpentanimidamide
CID 143625651
17-(2,3-dihydro-1H-tetrazol-5-yl)-N-(4-oxopentylsulfanyl)heptadecanamide
CID 118327229
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
12-oxo-N-propyltridecanamide
CID 135223938
N-(2-aminosulfanylethyl)-5-oxohexanamide
CID 146281528
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
hexadec-8-ene-2,15-dione
CID 91429732
6-N'-nitrosohexanediimidamide
CID 143800377
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
5-oxohexanehydrazide
CID 126993835

Frequently Asked Questions

What is the IUPAC name of 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide?
The IUPAC name of 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide (CID 137156143) is 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide.
What is the SMILES notation for 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide?
The canonical SMILES for 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide is [H]/N=N/N=C(N)CCCCCCCCCCCCCCCCC(=O)NSCCCC(C)=O.
What is the InChIKey of 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide?
The InChIKey is DBVKEXXQLIRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O2S/c1-21(29)17-16-20-31-27-23(30)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-22(24)26-28-25/h2-20H2,1H3,(H,27,30)(H3,24,25,26).
What are the key properties of 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide?
18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide has a molecular weight of 455.71 g/mol, XLogP of 6.66, 23 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-amino-18-(iminohydrazinylidene)-N-(4-oxopentylsulfanyl)octadecanamide is sourced from PubChem (CID 137156143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).