3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

C13H20N2O3 — CID 113425868

IUPAC3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)CCOc1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-10(9-16)15(2)13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9,14H2,1-2H3
InChIKeyFJNWZHQIYGSIHV-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.88
Rot. Bonds6

About 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (PubChem CID 113425868) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
PubChem CID113425868
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)CCOc1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-10(9-16)15(2)13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9,14H2,1-2H3
InChIKeyFJNWZHQIYGSIHV-UHFFFAOYSA-N
XLogP0.88
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.88
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-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
3-(2-aminophenoxy)propanamide
CID 39869131
2-ethoxyaniline;propan-2-one
CID 517004
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(2-aminophenoxy)propanoate
CID 61316741
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
CID 104551272
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (CID 113425868) is 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is CC(CO)N(C)C(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The InChIKey is FJNWZHQIYGSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(9-16)15(2)13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,7-9,14H2,1-2H3.
What are the key properties of 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 113425868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).