2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide

C17H26N2O2 — CID 115958256

IUPAC2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cccc(C)c1OC(C)C(=O)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-14(18)10-13-7-5-6-11(2)16(13)21-12(3)17(20)19-15-8-9-15/h5-7,12,14-15H,4,8-10,18H2,1-3H3,(H,19,20)
InChIKeyJPGAIMXTUYJPHE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds7

About 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide

2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide (PubChem CID 115958256) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
PubChem CID115958256
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cccc(C)c1OC(C)C(=O)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-14(18)10-13-7-5-6-11(2)16(13)21-12(3)17(20)19-15-8-9-15/h5-7,12,14-15H,4,8-10,18H2,1-3H3,(H,19,20)
InChIKeyJPGAIMXTUYJPHE-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
CID 115958552
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
CID 115958175
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112614872
N-cyclopropyl-2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 115952731
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopentylpropanamide
CID 115957684
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide (CID 115958256) is 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide is CCC(N)Cc1cccc(C)c1OC(C)C(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide?
The InChIKey is JPGAIMXTUYJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-14(18)10-13-7-5-6-11(2)16(13)21-12(3)17(20)19-15-8-9-15/h5-7,12,14-15H,4,8-10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide?
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 115958256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).