4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C18H22N2O3 — CID 84553998

IUPAC4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H22N2O3/c1-13-9-10-17(22-2)15(12-13)20-18(21)8-5-11-23-16-7-4-3-6-14(16)19/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeyXJQVMEIWVBCJMI-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.38
Rot. Bonds7

About 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 84553998) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID84553998
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCOc1ccc(C)cc1NC(=O)CCCOc1ccccc1N
InChIInChI=1S/C18H22N2O3/c1-13-9-10-17(22-2)15(12-13)20-18(21)8-5-11-23-16-7-4-3-6-14(16)19/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeyXJQVMEIWVBCJMI-UHFFFAOYSA-N
XLogP3.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 84553998) is 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is COc1ccc(C)cc1NC(=O)CCCOc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is XJQVMEIWVBCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-9-10-17(22-2)15(12-13)20-18(21)8-5-11-23-16-7-4-3-6-14(16)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-(2-methoxy-5-methylphenyl)butanamide?
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 84553998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).