2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide

C13H21N3O3 — CID 43374456

IUPAC2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(O)COc1ccccc1N
InChIInChI=1S/C13H21N3O3/c1-15-13(18)8-16(2)7-10(17)9-19-12-6-4-3-5-11(12)14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyIQLUBRZWTHJVAD-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.31
Rot. Bonds7

About 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide

2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide (PubChem CID 43374456) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
PubChem CID43374456
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(O)COc1ccccc1N
InChIInChI=1S/C13H21N3O3/c1-15-13(18)8-16(2)7-10(17)9-19-12-6-4-3-5-11(12)14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18)
InChIKeyIQLUBRZWTHJVAD-UHFFFAOYSA-N
XLogP-0.31
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[2-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914835
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
CID 104551272
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 62016325
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
CID 62496408
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
2-[[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl-methylamino]-N-methylacetamide
CID 97279494
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide (CID 43374456) is 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(O)COc1ccccc1N.
What is the InChIKey of 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide?
The InChIKey is IQLUBRZWTHJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-13(18)8-16(2)7-10(17)9-19-12-6-4-3-5-11(12)14/h3-6,10,17H,7-9,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide?
2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide has a molecular weight of 267.33 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).