2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide

C28H50N2O3 — CID 54825377

IUPAC2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOCC)cc1
InChIInChI=1S/C28H50N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-28(31)25-30-26-18-20-27(21-19-26)33-24-23-32-4-2/h18-21,30H,3-17,22-25H2,1-2H3,(H,29,31)
InChIKeyXRYKPGRPHKBBQA-UHFFFAOYSA-N
MW462.72 g/mol
LogP7.11
Rot. Bonds23

About 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide

2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide (PubChem CID 54825377) has the molecular formula C28H50N2O3 and a molecular weight of 462.72 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
PubChem CID54825377
Molecular FormulaC28H50N2O3
Molecular Weight462.72 g/mol
Exact Mass462.38
IUPAC Name2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOCC)cc1
InChIInChI=1S/C28H50N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-28(31)25-30-26-18-20-27(21-19-26)33-24-23-32-4-2/h18-21,30H,3-17,22-25H2,1-2H3,(H,29,31)
InChIKeyXRYKPGRPHKBBQA-UHFFFAOYSA-N
XLogP7.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825290
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide?
The IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide (CID 54825377) is 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide is CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(OCCOCC)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide?
The InChIKey is XRYKPGRPHKBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-28(31)25-30-26-18-20-27(21-19-26)33-24-23-32-4-2/h18-21,30H,3-17,22-25H2,1-2H3,(H,29,31).
What are the key properties of 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide?
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide has a molecular weight of 462.72 g/mol, XLogP of 7.11, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide is sourced from PubChem (CID 54825377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).