2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide

C16H26N2O2 — CID 115957606

IUPAC2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(C)cccc1CCN
InChIInChI=1S/C16H26N2O2/c1-4-6-13(3)18-15(19)11-20-16-12(2)7-5-8-14(16)9-10-17/h5,7-8,13H,4,6,9-11,17H2,1-3H3,(H,18,19)
InChIKeyPHJNICOUQDJRMM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide (PubChem CID 115957606) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
PubChem CID115957606
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(C)cccc1CCN
InChIInChI=1S/C16H26N2O2/c1-4-6-13(3)18-15(19)11-20-16-12(2)7-5-8-14(16)9-10-17/h5,7-8,13H,4,6,9-11,17H2,1-3H3,(H,18,19)
InChIKeyPHJNICOUQDJRMM-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide 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)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide (CID 115957606) is 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1c(C)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide?
The InChIKey is PHJNICOUQDJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-13(3)18-15(19)11-20-16-12(2)7-5-8-14(16)9-10-17/h5,7-8,13H,4,6,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide?
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 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)-6-methylphenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 115957606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).