3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide

C16H26N2O2 — CID 63640822

IUPAC3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCCNC(C)c1ccc(C)cc1OCCC(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-6-17-13(3)14-8-7-12(2)11-15(14)20-10-9-16(19)18(4)5/h7-8,11,13,17H,6,9-10H2,1-5H3
InChIKeyHMGLVQJPELCTLB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds7

About 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide

3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide (PubChem CID 63640822) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
PubChem CID63640822
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCCNC(C)c1ccc(C)cc1OCCC(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-6-17-13(3)14-8-7-12(2)11-15(14)20-10-9-16(19)18(4)5/h7-8,11,13,17H,6,9-10H2,1-5H3
InChIKeyHMGLVQJPELCTLB-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63640979
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 55246301
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640841
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide (CID 63640822) is 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide is CCNC(C)c1ccc(C)cc1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is HMGLVQJPELCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-17-13(3)14-8-7-12(2)11-15(14)20-10-9-16(19)18(4)5/h7-8,11,13,17H,6,9-10H2,1-5H3.
What are the key properties of 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63640822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).