N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide

C18H22N2O2 — CID 725335

IUPACN-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-4-22-16-8-6-15(7-9-16)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyAQXAIQHRLUPYLV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.75
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide

N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide (PubChem CID 725335) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide
PubChem CID725335
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-4-22-16-8-6-15(7-9-16)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyAQXAIQHRLUPYLV-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sembragiline
CID 10246762
2-Ethoxy-2'-ethyloxanilide
CID 90303
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
Propetamide
CID 68937
(2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648358
(2S)-N-[(2R)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648359
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide (CID 725335) is N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide is CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide?
The InChIKey is AQXAIQHRLUPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-22-16-8-6-15(7-9-16)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-ethoxyanilino)acetamide is sourced from PubChem (CID 725335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).