2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide

C16H26N2O2 — CID 115952627

IUPAC2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCNCc1cccc(C)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-6-17-10-14-9-7-8-13(4)16(14)20-11-15(19)18(5)12(2)3/h7-9,12,17H,6,10-11H2,1-5H3
InChIKeyBSXKDILARNYJLN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 115952627) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID115952627
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCNCc1cccc(C)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C16H26N2O2/c1-6-17-10-14-9-7-8-13(4)16(14)20-11-15(19)18(5)12(2)3/h7-9,12,17H,6,10-11H2,1-5H3
InChIKeyBSXKDILARNYJLN-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-[2-(ethylaminomethyl)-4-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63323513
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
N-cyclopropyl-2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 115952731
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide (CID 115952627) is 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide is CCNCc1cccc(C)c1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is BSXKDILARNYJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-17-10-14-9-7-8-13(4)16(14)20-11-15(19)18(5)12(2)3/h7-9,12,17H,6,10-11H2,1-5H3.
What are the key properties of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 115952627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).