N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide

C20H26N2O3 — CID 54825290

IUPACN-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-12-13-25-18-10-8-17(9-11-18)21-14-19(23)22-20-15(2)6-5-7-16(20)3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyVEKKCLGOPADWBN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.77
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide

N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide (PubChem CID 54825290) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
PubChem CID54825290
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-12-13-25-18-10-8-17(9-11-18)21-14-19(23)22-20-15(2)6-5-7-16(20)3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyVEKKCLGOPADWBN-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide (CID 54825290) is N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide is CCOCCOc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
The InChIKey is VEKKCLGOPADWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-12-13-25-18-10-8-17(9-11-18)21-14-19(23)22-20-15(2)6-5-7-16(20)3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).