2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide

C17H28N2O2 — CID 60907094

IUPAC2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCC(N)Cc1ccccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C17H28N2O2/c1-5-15(18)10-14-8-6-7-9-16(14)21-13(4)17(20)19-11-12(2)3/h6-9,12-13,15H,5,10-11,18H2,1-4H3,(H,19,20)
InChIKeyPTGHYWJOUBKOHT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 60907094) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID60907094
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCC(N)Cc1ccccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C17H28N2O2/c1-5-15(18)10-14-8-6-7-9-16(14)21-13(4)17(20)19-11-12(2)3/h6-9,12-13,15H,5,10-11,18H2,1-4H3,(H,19,20)
InChIKeyPTGHYWJOUBKOHT-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

Analyze 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 60907832
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 60907094) is 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide is CCC(N)Cc1ccccc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is PTGHYWJOUBKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15(18)10-14-8-6-7-9-16(14)21-13(4)17(20)19-11-12(2)3/h6-9,12-13,15H,5,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)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-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60907094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).