2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide

C14H20N2O2 — CID 63920183

IUPAC2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)18-8-14(16,13(15)17)11-6-7-11/h3-5,11H,6-8,16H2,1-2H3,(H2,15,17)
InChIKeyOUEHSRHUFMZMQA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide

2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 63920183) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
PubChem CID63920183
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)18-8-14(16,13(15)17)11-6-7-11/h3-5,11H,6-8,16H2,1-2H3,(H2,15,17)
InChIKeyOUEHSRHUFMZMQA-UHFFFAOYSA-N
XLogP1.28
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(2-ethoxyphenoxy)propanamide
CID 63919391
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
2-amino-2-cyclopropyl-3-(2-methylquinolin-8-yl)oxypropanoic acid
CID 63919233
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
CID 63919008
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide
CID 63920907
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide (CID 63920183) is 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCC(N)(C(N)=O)C2CC2)c1C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is OUEHSRHUFMZMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-3-5-12(10(9)2)18-8-14(16,13(15)17)11-6-7-11/h3-5,11H,6-8,16H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide?
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 63920183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).