4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide

C19H22N2O4 — CID 119422412

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C19H22N2O4/c1-13(22)14-9-10-17(18(12-14)24-2)25-11-5-8-19(23)21-16-7-4-3-6-15(16)20/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,23)
InChIKeySKVUHCDJLMWEMC-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.28
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide (PubChem CID 119422412) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
PubChem CID119422412
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C19H22N2O4/c1-13(22)14-9-10-17(18(12-14)24-2)25-11-5-8-19(23)21-16-7-4-3-6-15(16)20/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,23)
InChIKeySKVUHCDJLMWEMC-UHFFFAOYSA-N
XLogP3.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
CID 164618694
methyl 3-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-2-hydroxybenzoate
CID 56543338
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55759450
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(4-acetyl-2-methoxyphenoxy)-N-(3-bromo-4-methylphenyl)butanamide
CID 55738606
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
4-(4-acetyl-2-methoxyphenoxy)-N-[4-[benzyl(methyl)amino]phenyl]butanamide
CID 60536977

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide (CID 119422412) is 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccccc1N.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide?
The InChIKey is SKVUHCDJLMWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)14-9-10-17(18(12-14)24-2)25-11-5-8-19(23)21-16-7-4-3-6-15(16)20/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide has a molecular weight of 342.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide is sourced from PubChem (CID 119422412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).