2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide

C13H20N2O4 — CID 70366798

IUPAC2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide
SMILESCOCCC(Oc1ccc(OCCN)cc1)C(N)=O
InChIInChI=1S/C13H20N2O4/c1-17-8-6-12(13(15)16)19-11-4-2-10(3-5-11)18-9-7-14/h2-5,12H,6-9,14H2,1H3,(H2,15,16)
InChIKeyRYDWKXUQUGXVHZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.29
Rot. Bonds9

About 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide

2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide (PubChem CID 70366798) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide
PubChem CID70366798
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide
SMILESCOCCC(Oc1ccc(OCCN)cc1)C(N)=O
InChIInChI=1S/C13H20N2O4/c1-17-8-6-12(13(15)16)19-11-4-2-10(3-5-11)18-9-7-14/h2-5,12H,6-9,14H2,1H3,(H2,15,16)
InChIKeyRYDWKXUQUGXVHZ-UHFFFAOYSA-N
XLogP0.29
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-phenoxybutanamide
CID 154446744
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-(4-methylphenoxy)butanamide
CID 4980758
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
6-amino-2-(4-ethoxyphenoxy)hexanoic acid
CID 112745829
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
ethyl 2-[[4-(2-aminoethoxy)phenyl]methyl]pentanoate
CID 18625895
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
1-[4-(2-aminoethoxy)phenyl]-1-sulfanylurea
CID 57149872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide?
The IUPAC name of 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide (CID 70366798) is 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide is COCCC(Oc1ccc(OCCN)cc1)C(N)=O.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide?
The InChIKey is RYDWKXUQUGXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-8-6-12(13(15)16)19-11-4-2-10(3-5-11)18-9-7-14/h2-5,12H,6-9,14H2,1H3,(H2,15,16).
What are the key properties of 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide?
2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide has a molecular weight of 268.31 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenoxy]-4-methoxybutanamide is sourced from PubChem (CID 70366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).