3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide

C17H20N2O2 — CID 104502828

IUPAC3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
SMILESCc1ccc(O)c(NC(=O)CC(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-11-3-8-16(20)15(9-11)19-17(21)10-12(2)13-4-6-14(18)7-5-13/h3-9,12,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyDYAMKFASVTUIGT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide

3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide (PubChem CID 104502828) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
PubChem CID104502828
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
SMILESCc1ccc(O)c(NC(=O)CC(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-11-3-8-16(20)15(9-11)19-17(21)10-12(2)13-4-6-14(18)7-5-13/h3-9,12,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyDYAMKFASVTUIGT-UHFFFAOYSA-N
XLogP3.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide (CID 104502828) is 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide is Cc1ccc(O)c(NC(=O)CC(C)c2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide?
The InChIKey is DYAMKFASVTUIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-3-8-16(20)15(9-11)19-17(21)10-12(2)13-4-6-14(18)7-5-13/h3-9,12,20H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide?
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide is sourced from PubChem (CID 104502828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).