N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

C18H22N2O2 — CID 725331

IUPACN-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)22-17-10-8-15(9-11-17)19-12-18(21)20-16-6-4-14(3)5-7-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyKYELDATUAXEVOY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.83
Rot. Bonds6

About N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 725331) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID725331
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)22-17-10-8-15(9-11-17)19-12-18(21)20-16-6-4-14(3)5-7-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyKYELDATUAXEVOY-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)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

Florbetaben (18F)
CID 11501341
Diamfenetide
CID 37384
Sembragiline
CID 10246762
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
2-Ethoxy-2'-ethyloxanilide
CID 90303
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
Propetamide
CID 68937
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (CID 725331) is N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is KYELDATUAXEVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)22-17-10-8-15(9-11-17)19-12-18(21)20-16-6-4-14(3)5-7-16/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 725331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).