2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H24N2O3 — CID 106486250

IUPAC2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCNCc1ccc(OCC(=O)NC(C(C)=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)16(12(3)19)18-15(20)10-21-14-7-5-13(6-8-14)9-17-4/h5-8,11,16-17H,9-10H2,1-4H3,(H,18,20)
InChIKeyFSQKKOUBXZLXPD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.51
Rot. Bonds8

About 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 106486250) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID106486250
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCNCc1ccc(OCC(=O)NC(C(C)=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)16(12(3)19)18-15(20)10-21-14-7-5-13(6-8-14)9-17-4/h5-8,11,16-17H,9-10H2,1-4H3,(H,18,20)
InChIKeyFSQKKOUBXZLXPD-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
CID 9157214
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55578275
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 106486250) is 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CNCc1ccc(OCC(=O)NC(C(C)=O)C(C)C)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is FSQKKOUBXZLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)16(12(3)19)18-15(20)10-21-14-7-5-13(6-8-14)9-17-4/h5-8,11,16-17H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 106486250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).