N-(2-aminophenyl)octadecanamide

C24H42N2O — CID 68839220

IUPACN-(2-aminophenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)26-23-20-18-17-19-22(23)25/h17-20H,2-16,21,25H2,1H3,(H,26,27)
InChIKeyCQFHOTLYKJJRHQ-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.47
Rot. Bonds17

About N-(2-aminophenyl)octadecanamide

N-(2-aminophenyl)octadecanamide (PubChem CID 68839220) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-(2-aminophenyl)octadecanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)octadecanamide
PubChem CID68839220
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC NameN-(2-aminophenyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)26-23-20-18-17-19-22(23)25/h17-20H,2-16,21,25H2,1H3,(H,26,27)
InChIKeyCQFHOTLYKJJRHQ-UHFFFAOYSA-N
XLogP7.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 143955349
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N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-chlorophenyl)octanamide
CID 2292983
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N-naphthalen-1-yldodecanamide
CID 588517
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CID 54789601
N-(2-amino-5-methylphenyl)heptanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)octadecanamide?
The IUPAC name of N-(2-aminophenyl)octadecanamide (CID 68839220) is N-(2-aminophenyl)octadecanamide.
What is the SMILES notation for N-(2-aminophenyl)octadecanamide?
The canonical SMILES for N-(2-aminophenyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)octadecanamide?
The InChIKey is CQFHOTLYKJJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)26-23-20-18-17-19-22(23)25/h17-20H,2-16,21,25H2,1H3,(H,26,27).
What are the key properties of N-(2-aminophenyl)octadecanamide?
N-(2-aminophenyl)octadecanamide has a molecular weight of 374.61 g/mol, XLogP of 7.47, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)octadecanamide is sourced from PubChem (CID 68839220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).