2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

C17H28N2O2 — CID 61486793

IUPAC2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C)cc1C(C)NC
InChIInChI=1S/C17H28N2O2/c1-6-14(7-2)19-17(20)11-21-16-9-8-12(3)10-15(16)13(4)18-5/h8-10,13-14,18H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyZLOPXQCQVMAJQC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.96
Rot. Bonds8

About 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486793) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
PubChem CID61486793
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C)cc1C(C)NC
InChIInChI=1S/C17H28N2O2/c1-6-14(7-2)19-17(20)11-21-16-9-8-12(3)10-15(16)13(4)18-5/h8-10,13-14,18H,6-7,11H2,1-5H3,(H,19,20)
InChIKeyZLOPXQCQVMAJQC-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 62074581
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (CID 61486793) is 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(C)cc1C(C)NC.
What is the InChIKey of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is ZLOPXQCQVMAJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-14(7-2)19-17(20)11-21-16-9-8-12(3)10-15(16)13(4)18-5/h8-10,13-14,18H,6-7,11H2,1-5H3,(H,19,20).
What are the key properties of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).