2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide

C25H36N2O4 — CID 54827601

IUPAC2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C25H36N2O4/c1-3-5-6-7-10-16-30-22-13-11-12-21(19-22)27-25(28)20-26-23-14-8-9-15-24(23)31-18-17-29-4-2/h8-9,11-15,19,26H,3-7,10,16-18,20H2,1-2H3,(H,27,28)
InChIKeyRAXRQQMCPUEROH-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.50
Rot. Bonds16

About 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide

2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide (PubChem CID 54827601) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
PubChem CID54827601
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C25H36N2O4/c1-3-5-6-7-10-16-30-22-13-11-12-21(19-22)27-25(28)20-26-23-14-8-9-15-24(23)31-18-17-29-4-2/h8-9,11-15,19,26H,3-7,10,16-18,20H2,1-2H3,(H,27,28)
InChIKeyRAXRQQMCPUEROH-UHFFFAOYSA-N
XLogP5.50
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.50
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-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide (CID 54827601) is 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide is CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide?
The InChIKey is RAXRQQMCPUEROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-3-5-6-7-10-16-30-22-13-11-12-21(19-22)27-25(28)20-26-23-14-8-9-15-24(23)31-18-17-29-4-2/h8-9,11-15,19,26H,3-7,10,16-18,20H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide?
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide has a molecular weight of 428.57 g/mol, XLogP of 5.50, 16 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-(3-heptoxyphenyl)acetamide is sourced from PubChem (CID 54827601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).