N'-hexadecyl-N-(4-nitroanilino)ethanimidamide

C24H42N4O2 — CID 3098812

IUPACN'-hexadecyl-N-(4-nitroanilino)ethanimidamide
SMILESCCCCCCCCCCCCCCCC/N=C(\C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H42N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22(2)26-27-23-17-19-24(20-18-23)28(29)30/h17-20,27H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyCUXLFSHRSXUMCW-UHFFFAOYSA-N
MW418.63 g/mol
LogP7.41
Rot. Bonds18

About N'-hexadecyl-N-(4-nitroanilino)ethanimidamide

N'-hexadecyl-N-(4-nitroanilino)ethanimidamide (PubChem CID 3098812) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N'-hexadecyl-N-(4-nitroanilino)ethanimidamide.

Molecular Properties

Compound NameN'-hexadecyl-N-(4-nitroanilino)ethanimidamide
PubChem CID3098812
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC NameN'-hexadecyl-N-(4-nitroanilino)ethanimidamide
SMILESCCCCCCCCCCCCCCCC/N=C(\C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H42N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22(2)26-27-23-17-19-24(20-18-23)28(29)30/h17-20,27H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyCUXLFSHRSXUMCW-UHFFFAOYSA-N
XLogP7.41
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide
CID 11994709
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CID 143394748
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
4-nitro-N-nonan-2-ylaniline
CID 43719788
N-hexadecyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 23494443
4-nitrophenol;1-nonoxynonane
CID 69294501
O-hexadecyl N-(4-nitrophenyl)carbamothioate
CID 57068137
1-chloropentane;4-nitrophenol
CID 175271620
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728

Frequently Asked Questions

What is the IUPAC name of N'-hexadecyl-N-(4-nitroanilino)ethanimidamide?
The IUPAC name of N'-hexadecyl-N-(4-nitroanilino)ethanimidamide (CID 3098812) is N'-hexadecyl-N-(4-nitroanilino)ethanimidamide.
What is the SMILES notation for N'-hexadecyl-N-(4-nitroanilino)ethanimidamide?
The canonical SMILES for N'-hexadecyl-N-(4-nitroanilino)ethanimidamide is CCCCCCCCCCCCCCCC/N=C(\C)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-hexadecyl-N-(4-nitroanilino)ethanimidamide?
The InChIKey is CUXLFSHRSXUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22(2)26-27-23-17-19-24(20-18-23)28(29)30/h17-20,27H,3-16,21H2,1-2H3,(H,25,26).
What are the key properties of N'-hexadecyl-N-(4-nitroanilino)ethanimidamide?
N'-hexadecyl-N-(4-nitroanilino)ethanimidamide has a molecular weight of 418.63 g/mol, XLogP of 7.41, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexadecyl-N-(4-nitroanilino)ethanimidamide is sourced from PubChem (CID 3098812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).