N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide

C26H30N2O4 — CID 54826111

IUPACN-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H30N2O4/c1-2-3-16-32-25-15-8-7-14-24(25)28-26(29)20-27-21-10-9-13-23(19-21)31-18-17-30-22-11-5-4-6-12-22/h4-15,19,27H,2-3,16-18,20H2,1H3,(H,28,29)
InChIKeyWERAUZHKSGZVRK-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.37
Rot. Bonds13

About N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide

N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54826111) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54826111
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H30N2O4/c1-2-3-16-32-25-15-8-7-14-24(25)28-26(29)20-27-21-10-9-13-23(19-21)31-18-17-30-22-11-5-4-6-12-22/h4-15,19,27H,2-3,16-18,20H2,1H3,(H,28,29)
InChIKeyWERAUZHKSGZVRK-UHFFFAOYSA-N
XLogP5.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.37
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

2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide (CID 54826111) is N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide is CCCCOc1ccccc1NC(=O)CNc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is WERAUZHKSGZVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-2-3-16-32-25-15-8-7-14-24(25)28-26(29)20-27-21-10-9-13-23(19-21)31-18-17-30-22-11-5-4-6-12-22/h4-15,19,27H,2-3,16-18,20H2,1H3,(H,28,29).
What are the key properties of N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide?
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 434.54 g/mol, XLogP of 5.37, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54826111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).