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

C27H32N2O4 — CID 54827411

IUPAC2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-13-7-6-12-25(26)28-21-27(30)29-23-14-16-24(17-15-23)32-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,28H,2,8,11,18-21H2,1H3,(H,29,30)
InChIKeyDMCBFTCGNOXTQF-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.16
Rot. Bonds14

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

2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54827411) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54827411
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-13-7-6-12-25(26)28-21-27(30)29-23-14-16-24(17-15-23)32-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,28H,2,8,11,18-21H2,1H3,(H,29,30)
InChIKeyDMCBFTCGNOXTQF-UHFFFAOYSA-N
XLogP5.16
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
CID 54827316
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827988
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 54827411) is 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is CCOCCOc1ccccc1NCC(=O)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is DMCBFTCGNOXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-31-19-20-33-26-13-7-6-12-25(26)28-21-27(30)29-23-14-16-24(17-15-23)32-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-17,28H,2,8,11,18-21H2,1H3,(H,29,30).
What are the key properties of 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 448.56 g/mol, XLogP of 5.16, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54827411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).