2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide

C20H26N2O3 — CID 54829653

IUPAC2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-15(2)18-9-4-5-10-19(18)22-20(23)14-21-16-7-6-8-17(13-16)25-12-11-24-3/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyPGGHBALSDOIJED-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.89
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide

2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 54829653) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID54829653
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-15(2)18-9-4-5-10-19(18)22-20(23)14-21-16-7-6-8-17(13-16)25-12-11-24-3/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyPGGHBALSDOIJED-UHFFFAOYSA-N
XLogP3.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029705
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide (CID 54829653) is 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide is COCCOc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PGGHBALSDOIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)18-9-4-5-10-19(18)22-20(23)14-21-16-7-6-8-17(13-16)25-12-11-24-3/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide?
2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 54829653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).