3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide

C13H20N2O3 — CID 60906561

IUPAC3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
SMILESCOc1cc(CC(C)N)ccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O3/c1-9(14)7-10-3-4-11(12(8-10)17-2)18-6-5-13(15)16/h3-4,8-9H,5-7,14H2,1-2H3,(H2,15,16)
InChIKeySULUYQGUIXWRJK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.84
Rot. Bonds7

About 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide

3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide (PubChem CID 60906561) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
PubChem CID60906561
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
SMILESCOc1cc(CC(C)N)ccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O3/c1-9(14)7-10-3-4-11(12(8-10)17-2)18-6-5-13(15)16/h3-4,8-9H,5-7,14H2,1-2H3,(H2,15,16)
InChIKeySULUYQGUIXWRJK-UHFFFAOYSA-N
XLogP0.84
TPSA87.57 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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide?
The IUPAC name of 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide (CID 60906561) is 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide.
What is the SMILES notation for 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide?
The canonical SMILES for 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide is COc1cc(CC(C)N)ccc1OCCC(N)=O.
What is the InChIKey of 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide?
The InChIKey is SULUYQGUIXWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(14)7-10-3-4-11(12(8-10)17-2)18-6-5-13(15)16/h3-4,8-9H,5-7,14H2,1-2H3,(H2,15,16).
What are the key properties of 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide?
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 60906561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).