3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide

C13H19N3O3 — CID 61093998

IUPAC3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)9-15-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,14H2,1-2H3,(H,15,17)
InChIKeyJHWVEUACTJILMA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.24
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide

3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide (PubChem CID 61093998) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
PubChem CID61093998
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)13(18)9-15-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,14H2,1-2H3,(H,15,17)
InChIKeyJHWVEUACTJILMA-UHFFFAOYSA-N
XLogP0.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide (CID 61093998) is 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide is CN(C)C(=O)CNC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The InChIKey is JHWVEUACTJILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)13(18)9-15-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 61093998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).