3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide

C17H28N2O2 — CID 60926168

IUPAC3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCOc1ccc(C(C)NCCC(=O)N(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-19(6-2)17(20)12-13-18-14(4)15-8-10-16(11-9-15)21-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyHREKDQIBODJADR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.99
Rot. Bonds9

About 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide

3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide (PubChem CID 60926168) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
PubChem CID60926168
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCOc1ccc(C(C)NCCC(=O)N(CC)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-19(6-2)17(20)12-13-18-14(4)15-8-10-16(11-9-15)21-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyHREKDQIBODJADR-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
CID 54934592
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide (CID 60926168) is 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide is CCOc1ccc(C(C)NCCC(=O)N(CC)CC)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is HREKDQIBODJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19(6-2)17(20)12-13-18-14(4)15-8-10-16(11-9-15)21-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide?
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60926168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).