2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide

C15H24N2O4 — CID 62901223

IUPAC2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
SMILESCCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(N)=O
InChIInChI=1S/C15H24N2O4/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H2,17,18)
InChIKeyXURPLGXJGNTKTR-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide

2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide (PubChem CID 62901223) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
PubChem CID62901223
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
SMILESCCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(N)=O
InChIInChI=1S/C15H24N2O4/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H2,17,18)
InChIKeyXURPLGXJGNTKTR-UHFFFAOYSA-N
XLogP1.24
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
CID 64660777
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]butanamide
CID 62899819
2-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 142078023
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
4-(1-amino-1-oxobutan-2-yl)oxy-3-bromo-5-methoxybenzoic acid
CID 62899490
1-(3,4-dimethoxy-5-methylphosphanyloxyphenyl)propan-2-amine
CID 168931516
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide (CID 62901223) is 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide is CCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(N)=O.
What is the InChIKey of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide?
The InChIKey is XURPLGXJGNTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H2,17,18).
What are the key properties of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide?
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide has a molecular weight of 296.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide is sourced from PubChem (CID 62901223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).