3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide

C15H23N3O3 — CID 106274654

IUPAC3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)8-9-21-12-7-5-4-6-11(12)16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJVIWFKFFRCMJKV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds7

About 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide

3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide (PubChem CID 106274654) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
PubChem CID106274654
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CCOc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)8-9-21-12-7-5-4-6-11(12)16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJVIWFKFFRCMJKV-UHFFFAOYSA-N
XLogP0.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274772
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
3-[3-(2-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81370073
3-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)propanamide
CID 104827234
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide (CID 106274654) is 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)CCOc1ccccc1N.
What is the InChIKey of 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide?
The InChIKey is JVIWFKFFRCMJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)8-9-21-12-7-5-4-6-11(12)16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide?
3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).