2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide

C16H26N2O3 — CID 60905451

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(CCN)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)16(19)12(3)21-15-11-13(9-10-17)7-8-14(15)20-4/h7-8,11-12H,5-6,9-10,17H2,1-4H3
InChIKeyGTIRFGFVBQHZCA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.83
Rot. Bonds8

About 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide (PubChem CID 60905451) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
PubChem CID60905451
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(CCN)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)16(19)12(3)21-15-11-13(9-10-17)7-8-14(15)20-4/h7-8,11-12H,5-6,9-10,17H2,1-4H3
InChIKeyGTIRFGFVBQHZCA-UHFFFAOYSA-N
XLogP1.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
CID 43122406
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide (CID 60905451) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cc(CCN)ccc1OC.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide?
The InChIKey is GTIRFGFVBQHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18(6-2)16(19)12(3)21-15-11-13(9-10-17)7-8-14(15)20-4/h7-8,11-12H,5-6,9-10,17H2,1-4H3.
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide?
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 60905451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).