2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide

C13H20N2O3 — CID 54931035

IUPAC2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
SMILESCCOc1cc(CCN)ccc1OCC(=O)NC
InChIInChI=1S/C13H20N2O3/c1-3-17-12-8-10(6-7-14)4-5-11(12)18-9-13(16)15-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyRWHMYHOZFDMSJQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.71
Rot. Bonds7

About 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide (PubChem CID 54931035) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
PubChem CID54931035
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
SMILESCCOc1cc(CCN)ccc1OCC(=O)NC
InChIInChI=1S/C13H20N2O3/c1-3-17-12-8-10(6-7-14)4-5-11(12)18-9-13(16)15-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyRWHMYHOZFDMSJQ-UHFFFAOYSA-N
XLogP0.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486238
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
CID 70594097
CID 70594097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide (CID 54931035) is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide is CCOc1cc(CCN)ccc1OCC(=O)NC.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide?
The InChIKey is RWHMYHOZFDMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-12-8-10(6-7-14)4-5-11(12)18-9-13(16)15-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide?
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 54931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).