2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide

C25H28N2O2 — CID 54823876

IUPAC2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1ccc(OCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-2-24(21-11-7-4-8-12-21)27-25(28)19-26-22-13-15-23(16-14-22)29-18-17-20-9-5-3-6-10-20/h3-16,24,26H,2,17-19H2,1H3,(H,27,28)
InChIKeyAOVNUEJUBKYMFV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.99
Rot. Bonds10

About 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide

2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide (PubChem CID 54823876) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
PubChem CID54823876
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1ccc(OCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-2-24(21-11-7-4-8-12-21)27-25(28)19-26-22-13-15-23(16-14-22)29-18-17-20-9-5-3-6-10-20/h3-16,24,26H,2,17-19H2,1H3,(H,27,28)
InChIKeyAOVNUEJUBKYMFV-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54822434
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide (CID 54823876) is 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNc1ccc(OCCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide?
The InChIKey is AOVNUEJUBKYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-24(21-11-7-4-8-12-21)27-25(28)19-26-22-13-15-23(16-14-22)29-18-17-20-9-5-3-6-10-20/h3-16,24,26H,2,17-19H2,1H3,(H,27,28).
What are the key properties of 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide?
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).