N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide

C17H28N2O2 — CID 63638956

IUPACN-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1ccc(C)cc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-11(2)13(4)19-17(20)10-21-16-9-12(3)7-8-15(16)14(5)18-6/h7-9,11,13-14,18H,10H2,1-6H3,(H,19,20)
InChIKeyKNERHNJCRWZBHM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide

N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide (PubChem CID 63638956) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
PubChem CID63638956
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1ccc(C)cc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-11(2)13(4)19-17(20)10-21-16-9-12(3)7-8-15(16)14(5)18-6/h7-9,11,13-14,18H,10H2,1-6H3,(H,19,20)
InChIKeyKNERHNJCRWZBHM-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 63638936
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
2,2-dimethyl-3-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]propanoic acid
CID 79630191

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide (CID 63638956) is N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide is CNC(C)c1ccc(C)cc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The InChIKey is KNERHNJCRWZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)13(4)19-17(20)10-21-16-9-12(3)7-8-15(16)14(5)18-6/h7-9,11,13-14,18H,10H2,1-6H3,(H,19,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide?
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 63638956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).