3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide

C15H24N2O2 — CID 54879287

IUPAC3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCNC(C)c1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-16-12(2)13-7-6-8-14(11-13)19-10-9-15(18)17(3)4/h6-8,11-12,16H,5,9-10H2,1-4H3
InChIKeyHBPHVZGSHFFEBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds7

About 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide

3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 54879287) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID54879287
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCNC(C)c1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-5-16-12(2)13-7-6-8-14(11-13)19-10-9-15(18)17(3)4/h6-8,11-12,16H,5,9-10H2,1-4H3
InChIKeyHBPHVZGSHFFEBX-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide (CID 54879287) is 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide is CCNC(C)c1cccc(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is HBPHVZGSHFFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-16-12(2)13-7-6-8-14(11-13)19-10-9-15(18)17(3)4/h6-8,11-12,16H,5,9-10H2,1-4H3.
What are the key properties of 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide?
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 54879287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).