N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide

C25H26N2O4 — CID 54824592

IUPACN-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)26-19-25(28)27-20-12-14-22(15-13-20)30-18-17-29-21-8-4-3-5-9-21/h2-15,26H,1,16-19H2,(H,27,28)
InChIKeyLHUXDZKONKPPGC-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.76
Rot. Bonds12

About N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide

N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide (PubChem CID 54824592) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
PubChem CID54824592
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)26-19-25(28)27-20-12-14-22(15-13-20)30-18-17-29-21-8-4-3-5-9-21/h2-15,26H,1,16-19H2,(H,27,28)
InChIKeyLHUXDZKONKPPGC-UHFFFAOYSA-N
XLogP4.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide (CID 54824592) is N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
The InChIKey is LHUXDZKONKPPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)26-19-25(28)27-20-12-14-22(15-13-20)30-18-17-29-21-8-4-3-5-9-21/h2-15,26H,1,16-19H2,(H,27,28).
What are the key properties of N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide?
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.76, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54824592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).