3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide

C17H26N2O2 — CID 63326041

IUPAC3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cc(C)ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(18)11-13-10-12(2)4-7-16(13)21-9-8-17(20)19-15-5-6-15/h4,7,10,14-15H,3,5-6,8-9,11,18H2,1-2H3,(H,19,20)
InChIKeyIVMKYHVZUUVYNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds8

About 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide

3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide (PubChem CID 63326041) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
PubChem CID63326041
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cc(C)ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C17H26N2O2/c1-3-14(18)11-13-10-12(2)4-7-16(13)21-9-8-17(20)19-15-5-6-15/h4,7,10,14-15H,3,5-6,8-9,11,18H2,1-2H3,(H,19,20)
InChIKeyIVMKYHVZUUVYNT-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide 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-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
N-cyclopropyl-3-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]propanamide
CID 62628087
N-cyclopropyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 62628086
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide (CID 63326041) is 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide is CCC(N)Cc1cc(C)ccc1OCCC(=O)NC1CC1.
What is the InChIKey of 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide?
The InChIKey is IVMKYHVZUUVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14(18)11-13-10-12(2)4-7-16(13)21-9-8-17(20)19-15-5-6-15/h4,7,10,14-15H,3,5-6,8-9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide?
3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 63326041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).