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

C16H26N2O2 — CID 61489481

IUPAC2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCNC(C)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)12(3)18-16(19)10-20-15-9-7-6-8-14(15)13(4)17-5/h6-9,11-13,17H,10H2,1-5H3,(H,18,19)
InChIKeyLYPFLARUMVYKAE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds7

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

2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489481) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489481
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCNC(C)c1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)12(3)18-16(19)10-20-15-9-7-6-8-14(15)13(4)17-5/h6-9,11-13,17H,10H2,1-5H3,(H,18,19)
InChIKeyLYPFLARUMVYKAE-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
CID 60882862
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 61489481) is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is CNC(C)c1ccccc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LYPFLARUMVYKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)12(3)18-16(19)10-20-15-9-7-6-8-14(15)13(4)17-5/h6-9,11-13,17H,10H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).