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

C23H32N2O4 — CID 54824535

IUPACN-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(OCCC(C)C)c1
InChIInChI=1S/C23H32N2O4/c1-4-27-14-15-29-22-11-6-5-10-21(22)25-23(26)17-24-19-8-7-9-20(16-19)28-13-12-18(2)3/h5-11,16,18,24H,4,12-15,17H2,1-3H3,(H,25,26)
InChIKeyRCTWMMHUFIKRCS-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.58
Rot. Bonds13

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

N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54824535) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54824535
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(OCCC(C)C)c1
InChIInChI=1S/C23H32N2O4/c1-4-27-14-15-29-22-11-6-5-10-21(22)25-23(26)17-24-19-8-7-9-20(16-19)28-13-12-18(2)3/h5-11,16,18,24H,4,12-15,17H2,1-3H3,(H,25,26)
InChIKeyRCTWMMHUFIKRCS-UHFFFAOYSA-N
XLogP4.58
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.58
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-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-(2,3-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827324
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
3-(2-ethoxyethoxy)-N-[[2-(3-methylbutoxy)phenyl]methyl]aniline
CID 54802121

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54824535) is N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide is CCOCCOc1ccccc1NC(=O)CNc1cccc(OCCC(C)C)c1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is RCTWMMHUFIKRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-4-27-14-15-29-22-11-6-5-10-21(22)25-23(26)17-24-19-8-7-9-20(16-19)28-13-12-18(2)3/h5-11,16,18,24H,4,12-15,17H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide?
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.58, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54824535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).