2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide

C16H26N2O3 — CID 60907071

IUPAC2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(OC)cc1CC(N)CC
InChIInChI=1S/C16H26N2O3/c1-5-13(17)9-12-10-14(20-4)7-8-15(12)21-11(3)16(19)18-6-2/h7-8,10-11,13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyKTNKIFPHLHFXLF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.88
Rot. Bonds8

About 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide

2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide (PubChem CID 60907071) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
PubChem CID60907071
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(OC)cc1CC(N)CC
InChIInChI=1S/C16H26N2O3/c1-5-13(17)9-12-10-14(20-4)7-8-15(12)21-11(3)16(19)18-6-2/h7-8,10-11,13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyKTNKIFPHLHFXLF-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide (CID 60907071) is 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(OC)cc1CC(N)CC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide?
The InChIKey is KTNKIFPHLHFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-13(17)9-12-10-14(20-4)7-8-15(12)21-11(3)16(19)18-6-2/h7-8,10-11,13H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide?
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide is sourced from PubChem (CID 60907071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).