2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide

C12H18N2O3 — CID 102702283

IUPAC2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(OC)ccc1N
InChIInChI=1S/C12H18N2O3/c1-4-14(2)12(15)8-17-11-7-9(16-3)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3
InChIKeyHFFVMNMNTYOEPS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds5

About 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide

2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide (PubChem CID 102702283) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
PubChem CID102702283
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(OC)ccc1N
InChIInChI=1S/C12H18N2O3/c1-4-14(2)12(15)8-17-11-7-9(16-3)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3
InChIKeyHFFVMNMNTYOEPS-UHFFFAOYSA-N
XLogP1.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
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-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
4-amino-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 106954840
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
N,N-diethyl-2-[2-(hydroxymethyl)-5-methoxyphenoxy]acetamide
CID 61269414
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide (CID 102702283) is 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1cc(OC)ccc1N.
What is the InChIKey of 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is HFFVMNMNTYOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-14(2)12(15)8-17-11-7-9(16-3)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3.
What are the key properties of 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide?
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 102702283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).