2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide

C13H18N2O3 — CID 82064320

IUPAC2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)C(C)C)cc1N
InChIInChI=1S/C13H18N2O3/c1-8(2)13(17)9-4-5-11(10(14)6-9)18-7-12(16)15-3/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyUYCHJGORXFEYTM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.23
Rot. Bonds5

About 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide

2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide (PubChem CID 82064320) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
PubChem CID82064320
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)C(C)C)cc1N
InChIInChI=1S/C13H18N2O3/c1-8(2)13(17)9-4-5-11(10(14)6-9)18-7-12(16)15-3/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyUYCHJGORXFEYTM-UHFFFAOYSA-N
XLogP1.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide 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

1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
CID 82064209
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
1-(3-amino-4-ethoxyphenyl)-2-(tert-butylamino)propan-1-one
CID 82258520
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 24709160
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
CID 63180957

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide (CID 82064320) is 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(=O)C(C)C)cc1N.
What is the InChIKey of 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide?
The InChIKey is UYCHJGORXFEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)13(17)9-4-5-11(10(14)6-9)18-7-12(16)15-3/h4-6,8H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide?
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 82064320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).