2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide

C25H26N2O4 — CID 54822803

IUPAC2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)27-25(28)19-26-20-12-14-22(15-13-20)30-18-17-29-21-8-4-3-5-9-21/h2-15,26H,1,16-19H2,(H,27,28)
InChIKeyRLSMKXDSDIHLHH-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.76
Rot. Bonds12

About 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide

2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54822803) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54822803
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)27-25(28)19-26-20-12-14-22(15-13-20)30-18-17-29-21-8-4-3-5-9-21/h2-15,26H,1,16-19H2,(H,27,28)
InChIKeyRLSMKXDSDIHLHH-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822263
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide (CID 54822803) is 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is RLSMKXDSDIHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-16-31-24-11-7-6-10-23(24)27-25(28)19-26-20-12-14-22(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 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)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 2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54822803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).