2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

C15H25N3O2 — CID 103187365

IUPAC2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1cccc(N)c1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-5-18(12(2)10-17(3)4)15(19)11-20-14-8-6-7-13(16)9-14/h6-9,12H,5,10-11,16H2,1-4H3
InChIKeyDBMIOXQQXYRAPA-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.45
Rot. Bonds7

About 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide

2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (PubChem CID 103187365) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
PubChem CID103187365
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1cccc(N)c1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-5-18(12(2)10-17(3)4)15(19)11-20-14-8-6-7-13(16)9-14/h6-9,12H,5,10-11,16H2,1-4H3
InChIKeyDBMIOXQQXYRAPA-UHFFFAOYSA-N
XLogP1.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-methyl-N-pentan-2-ylacetamide
CID 61093481
2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 61093485
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
3-[[2-(3-bromophenoxy)acetyl]-ethylamino]butanoic acid
CID 62821216
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)acetamide
CID 61109669
2-methylpentyl 2-(3-aminophenoxy)acetate
CID 55055869
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide (CID 103187365) is 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is CCN(C(=O)COc1cccc(N)c1)C(C)CN(C)C.
What is the InChIKey of 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
The InChIKey is DBMIOXQQXYRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(12(2)10-17(3)4)15(19)11-20-14-8-6-7-13(16)9-14/h6-9,12H,5,10-11,16H2,1-4H3.
What are the key properties of 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide?
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 103187365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).