2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide

C17H28N2O2 — CID 60907832

IUPAC2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccccc1CC(C)N
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-19-17(20)14(4)21-16-8-6-5-7-15(16)11-13(3)18/h5-8,12-14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyHSKCXENLKGZASE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide

2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide (PubChem CID 60907832) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
PubChem CID60907832
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccccc1CC(C)N
InChIInChI=1S/C17H28N2O2/c1-12(2)9-10-19-17(20)14(4)21-16-8-6-5-7-15(16)11-13(3)18/h5-8,12-14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyHSKCXENLKGZASE-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
CID 43326211
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide (CID 60907832) is 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide?
The InChIKey is HSKCXENLKGZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)9-10-19-17(20)14(4)21-16-8-6-5-7-15(16)11-13(3)18/h5-8,12-14H,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide?
2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 60907832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).