N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide

C25H28N2O3 — CID 54822610

IUPACN-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-19(2)30-24-14-8-21(9-15-24)26-18-25(28)27-22-10-12-23(13-11-22)29-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyVVJCEPDLYMWJRW-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.15
Rot. Bonds10

About N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide

N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 54822610) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID54822610
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3/c1-19(2)30-24-14-8-21(9-15-24)26-18-25(28)27-22-10-12-23(13-11-22)29-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyVVJCEPDLYMWJRW-UHFFFAOYSA-N
XLogP5.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide (CID 54822610) is N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is VVJCEPDLYMWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(2)30-24-14-8-21(9-15-24)26-18-25(28)27-22-10-12-23(13-11-22)29-17-16-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28).
What are the key properties of N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide?
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 404.51 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54822610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).