3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide

C14H22N2O3 — CID 54929419

IUPAC3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
SMILESCOc1ccc(CC(C)N)cc1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-9(14(16)17)8-19-13-7-11(6-10(2)15)4-5-12(13)18-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H2,16,17)
InChIKeyWGVISECOGHQXQJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.09
Rot. Bonds7

About 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide

3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide (PubChem CID 54929419) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
PubChem CID54929419
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
SMILESCOc1ccc(CC(C)N)cc1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-9(14(16)17)8-19-13-7-11(6-10(2)15)4-5-12(13)18-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H2,16,17)
InChIKeyWGVISECOGHQXQJ-UHFFFAOYSA-N
XLogP1.09
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370
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
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311896
3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311897
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide?
The IUPAC name of 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide (CID 54929419) is 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide is COc1ccc(CC(C)N)cc1OCC(C)C(N)=O.
What is the InChIKey of 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide?
The InChIKey is WGVISECOGHQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(14(16)17)8-19-13-7-11(6-10(2)15)4-5-12(13)18-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H2,16,17).
What are the key properties of 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide?
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide is sourced from PubChem (CID 54929419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).