N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide

C20H26N2O3 — CID 54827735

IUPACN-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-4-24-10-11-25-19-7-5-6-17(13-19)21-14-20(23)22-18-9-8-15(2)16(3)12-18/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23)
InChIKeyZQRYTYCRXPACIU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.77
Rot. Bonds9

About N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide

N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide (PubChem CID 54827735) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
PubChem CID54827735
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-4-24-10-11-25-19-7-5-6-17(13-19)21-14-20(23)22-18-9-8-15(2)16(3)12-18/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23)
InChIKeyZQRYTYCRXPACIU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(2,3-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827324
2-(5-chloro-2-methylanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54819365
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54827331
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide (CID 54827735) is N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide is CCOCCOc1cccc(NCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The InChIKey is ZQRYTYCRXPACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-10-11-25-19-7-5-6-17(13-19)21-14-20(23)22-18-9-8-15(2)16(3)12-18/h5-9,12-13,21H,4,10-11,14H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
N-(3,4-dimethylphenyl)-2-[3-(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-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54827735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).