N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide

C21H28N2O4 — CID 54823718

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
SMILESCOCCOc1cccc(NC(=O)CNc2ccccc2OCC(C)C)c1
InChIInChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-5-4-9-19(20)22-14-21(24)23-17-7-6-8-18(13-17)26-12-11-25-3/h4-10,13,16,22H,11-12,14-15H2,1-3H3,(H,23,24)
InChIKeyGGTHMLBXQBDLDW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.80
Rot. Bonds11

About N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide

N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide (PubChem CID 54823718) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
PubChem CID54823718
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
SMILESCOCCOc1cccc(NC(=O)CNc2ccccc2OCC(C)C)c1
InChIInChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-5-4-9-19(20)22-14-21(24)23-17-7-6-8-18(13-17)26-12-11-25-3/h4-10,13,16,22H,11-12,14-15H2,1-3H3,(H,23,24)
InChIKeyGGTHMLBXQBDLDW-UHFFFAOYSA-N
XLogP3.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.80
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-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54816652
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 54829653
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide (CID 54823718) is N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide is COCCOc1cccc(NC(=O)CNc2ccccc2OCC(C)C)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide?
The InChIKey is GGTHMLBXQBDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16(2)15-27-20-10-5-4-9-19(20)22-14-21(24)23-17-7-6-8-18(13-17)26-12-11-25-3/h4-10,13,16,22H,11-12,14-15H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide?
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54823718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).