N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide

C25H28N2O4 — CID 54820282

IUPACN-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-16-29-22-14-12-20(13-15-22)26-19-25(28)27-23-10-6-7-11-24(23)31-18-17-30-21-8-4-3-5-9-21/h3-15,26H,2,16-19H2,1H3,(H,27,28)
InChIKeyBQXZFVYHSVXBSU-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.98
Rot. Bonds12

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

N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide (PubChem CID 54820282) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
PubChem CID54820282
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4/c1-2-16-29-22-14-12-20(13-15-22)26-19-25(28)27-23-10-6-7-11-24(23)31-18-17-30-21-8-4-3-5-9-21/h3-15,26H,2,16-19H2,1H3,(H,27,28)
InChIKeyBQXZFVYHSVXBSU-UHFFFAOYSA-N
XLogP4.98
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.98
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'}

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Related Compounds

2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822263
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836272

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide (CID 54820282) is N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The InChIKey is BQXZFVYHSVXBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-16-29-22-14-12-20(13-15-22)26-19-25(28)27-23-10-6-7-11-24(23)31-18-17-30-21-8-4-3-5-9-21/h3-15,26H,2,16-19H2,1H3,(H,27,28).
What are the key properties of N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide?
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide has a molecular weight of 420.51 g/mol, XLogP of 4.98, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 54820282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).