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

C22H28N2O4 — CID 54827380

IUPAC2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C22H28N2O4/c1-4-26-12-13-27-21-11-6-5-10-20(21)23-15-22(25)24-18-8-7-9-19(14-18)28-16-17(2)3/h5-11,14,23H,2,4,12-13,15-16H2,1,3H3,(H,24,25)
InChIKeyXJUXKZHLGFLNBW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.11
Rot. Bonds12

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

2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54827380) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54827380
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1
InChIInChI=1S/C22H28N2O4/c1-4-26-12-13-27-21-11-6-5-10-20(21)23-15-22(25)24-18-8-7-9-19(14-18)28-16-17(2)3/h5-11,14,23H,2,4,12-13,15-16H2,1,3H3,(H,24,25)
InChIKeyXJUXKZHLGFLNBW-UHFFFAOYSA-N
XLogP4.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54811890
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
2-(3-acetamidoanilino)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54831775
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54827380) is 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CNc2ccccc2OCCOCC)c1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is XJUXKZHLGFLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-26-12-13-27-21-11-6-5-10-20(21)23-15-22(25)24-18-8-7-9-19(14-18)28-16-17(2)3/h5-11,14,23H,2,4,12-13,15-16H2,1,3H3,(H,24,25).
What are the key properties of 2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.11, 12 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-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54827380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).