2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide

C13H21N3O2 — CID 63693890

IUPAC2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-15(2)8-9-16(3)13(17)10-18-12-7-5-4-6-11(12)14/h4-7H,8-10,14H2,1-3H3
InChIKeyDVKSXKGOAZRTMY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.67
Rot. Bonds6

About 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide

2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide (PubChem CID 63693890) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
PubChem CID63693890
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCN(C)CCN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-15(2)8-9-16(3)13(17)10-18-12-7-5-4-6-11(12)14/h4-7H,8-10,14H2,1-3H3
InChIKeyDVKSXKGOAZRTMY-UHFFFAOYSA-N
XLogP0.67
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.67
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-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876
2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511151
2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79304400
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
2-ethoxyaniline;propan-2-one
CID 517004
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide (CID 63693890) is 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide is CN(C)CCN(C)C(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The InChIKey is DVKSXKGOAZRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(2)8-9-16(3)13(17)10-18-12-7-5-4-6-11(12)14/h4-7H,8-10,14H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 63693890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).