2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide

C12H18N2O3 — CID 61126914

IUPAC2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3/c1-14(7-8-16-2)12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyKSTKJOBBGYGASW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.75
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide

2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 61126914) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
PubChem CID61126914
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
SMILESCOCCN(C)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3/c1-14(7-8-16-2)12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyKSTKJOBBGYGASW-UHFFFAOYSA-N
XLogP0.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Phenacetin
CID 4754
Propacetamol
CID 68865
Propetamide
CID 68937
4'-Allyloxyacetanilide
CID 23103
p-Lactophenetide
CID 98046
Phenoxyacetanilide
CID 264248
4-(2-Piperidin-1-yl-ethoxy)-phenylamine
CID 3016025
Acetamide, N-(4-butoxyphenyl)-
CID 90165
5-(4-Aminophenoxy)-2-hexyl-1-methylpyridin-4-one
CID 121493781
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
2-(4-Anilinophenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 3560036
N-(4-ethoxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 6465454

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide (CID 61126914) is 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide is COCCN(C)C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is KSTKJOBBGYGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(7-8-16-2)12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9,13H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide?
2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 61126914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).