N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide

C25H27N3O3 — CID 54825334

IUPACN-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-19(29)27-22-9-11-23(12-10-22)28-25(30)18-26-21-13-15-24(16-14-21)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLLYOCAXAPSVJFE-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.71
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide

N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54825334) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
PubChem CID54825334
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-19(29)27-22-9-11-23(12-10-22)28-25(30)18-26-21-13-15-24(16-14-21)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyLLYOCAXAPSVJFE-UHFFFAOYSA-N
XLogP4.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.71
H-Bond Donors ≤ 53
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-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
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-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide (CID 54825334) is N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide is CC(=O)Nc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is LLYOCAXAPSVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19(29)27-22-9-11-23(12-10-22)28-25(30)18-26-21-13-15-24(16-14-21)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-16,26H,5,8,17-18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54825334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).