4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide

C18H22N2O2 — CID 84553818

IUPAC4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2N)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-15(12-14(13)2)20-18(21)8-5-11-22-17-7-4-3-6-16(17)19/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeySZUWFYGJYPRPPK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.68
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide

4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide (PubChem CID 84553818) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
PubChem CID84553818
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2N)cc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-15(12-14(13)2)20-18(21)8-5-11-22-17-7-4-3-6-16(17)19/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeySZUWFYGJYPRPPK-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide 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

4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide (CID 84553818) is 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccccc2N)cc1C.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is SZUWFYGJYPRPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-9-10-15(12-14(13)2)20-18(21)8-5-11-22-17-7-4-3-6-16(17)19/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide?
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 84553818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).