(2Z)-2-(octadecylhydrazinylidene)propanoic acid

C21H42N2O2 — CID 88766395

IUPAC(2Z)-2-(octadecylhydrazinylidene)propanoic acid
SMILESCCCCCCCCCCCCCCCCCCN/N=C(/C)C(=O)O
InChIInChI=1S/C21H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20(2)21(24)25/h22H,3-19H2,1-2H3,(H,24,25)/b23-20-
InChIKeyKUSQXACIGUDUMF-ATJXCDBQSA-N
MW354.58 g/mol
LogP6.30
Rot. Bonds19

About (2Z)-2-(octadecylhydrazinylidene)propanoic acid

(2Z)-2-(octadecylhydrazinylidene)propanoic acid (PubChem CID 88766395) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (2Z)-2-(octadecylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(2Z)-2-(octadecylhydrazinylidene)propanoic acid
PubChem CID88766395
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name(2Z)-2-(octadecylhydrazinylidene)propanoic acid
SMILESCCCCCCCCCCCCCCCCCCN/N=C(/C)C(=O)O
InChIInChI=1S/C21H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20(2)21(24)25/h22H,3-19H2,1-2H3,(H,24,25)/b23-20-
InChIKeyKUSQXACIGUDUMF-ATJXCDBQSA-N
XLogP6.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(propylhydrazinylidene)propanoic acid
CID 73183649
(2Z)-2-[[(E)-hex-3-enyl]hydrazinylidene]propanoic acid
CID 88766045
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
carbonic acid;N-hexylhexan-1-amine
CID 174995198
acetic acid;1-octadecyl-2-propylhydrazine
CID 22323613
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
2-methylprop-2-enoic acid;octacosane
CID 158715869

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(octadecylhydrazinylidene)propanoic acid?
The IUPAC name of (2Z)-2-(octadecylhydrazinylidene)propanoic acid (CID 88766395) is (2Z)-2-(octadecylhydrazinylidene)propanoic acid.
What is the SMILES notation for (2Z)-2-(octadecylhydrazinylidene)propanoic acid?
The canonical SMILES for (2Z)-2-(octadecylhydrazinylidene)propanoic acid is CCCCCCCCCCCCCCCCCCN/N=C(/C)C(=O)O.
What is the InChIKey of (2Z)-2-(octadecylhydrazinylidene)propanoic acid?
The InChIKey is KUSQXACIGUDUMF-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20(2)21(24)25/h22H,3-19H2,1-2H3,(H,24,25)/b23-20-.
What are the key properties of (2Z)-2-(octadecylhydrazinylidene)propanoic acid?
(2Z)-2-(octadecylhydrazinylidene)propanoic acid has a molecular weight of 354.58 g/mol, XLogP of 6.30, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(octadecylhydrazinylidene)propanoic acid is sourced from PubChem (CID 88766395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).