2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide

C17H28N2O2 — CID 63326228

IUPAC2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C)cc1CCN
InChIInChI=1S/C17H28N2O2/c1-5-6-13(3)19-17(20)14(4)21-16-8-7-12(2)11-15(16)9-10-18/h7-8,11,13-14H,5-6,9-10,18H2,1-4H3,(H,19,20)
InChIKeyGUEVJJOXRVECLC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide

2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide (PubChem CID 63326228) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
PubChem CID63326228
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C)cc1CCN
InChIInChI=1S/C17H28N2O2/c1-5-6-13(3)19-17(20)14(4)21-16-8-7-12(2)11-15(16)9-10-18/h7-8,11,13-14H,5-6,9-10,18H2,1-4H3,(H,19,20)
InChIKeyGUEVJJOXRVECLC-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide 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-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63325896
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide (CID 63326228) is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc(C)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide?
The InChIKey is GUEVJJOXRVECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-13(3)19-17(20)14(4)21-16-8-7-12(2)11-15(16)9-10-18/h7-8,11,13-14H,5-6,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide?
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 63326228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).