2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide

C13H21N3O2 — CID 61140673

IUPAC2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
SMILESCC(CNC(=O)COc1cccc(N)c1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-10(16(2)3)8-15-13(17)9-18-12-6-4-5-11(14)7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZPAQFRUMEPRDQQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds6

About 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide

2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide (PubChem CID 61140673) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
PubChem CID61140673
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
SMILESCC(CNC(=O)COc1cccc(N)c1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-10(16(2)3)8-15-13(17)9-18-12-6-4-5-11(14)7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZPAQFRUMEPRDQQ-UHFFFAOYSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
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

2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
CID 61138864
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315041
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
3-[(2S)-2-(dimethylamino)propoxy]aniline
CID 169112356
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248730
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide (CID 61140673) is 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide is CC(CNC(=O)COc1cccc(N)c1)N(C)C.
What is the InChIKey of 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide?
The InChIKey is ZPAQFRUMEPRDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(16(2)3)8-15-13(17)9-18-12-6-4-5-11(14)7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide?
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 61140673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).