3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide

C15H24N2O3 — CID 60926055

IUPAC3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cc(O)ccc1O
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)15(20)8-9-16-11(3)13-10-12(18)6-7-14(13)19/h6-7,10-11,16,18-19H,4-5,8-9H2,1-3H3
InChIKeyNCICKUURGPDNTQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.01
Rot. Bonds7

About 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide

3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide (PubChem CID 60926055) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
PubChem CID60926055
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1cc(O)ccc1O
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)15(20)8-9-16-11(3)13-10-12(18)6-7-14(13)19/h6-7,10-11,16,18-19H,4-5,8-9H2,1-3H3
InChIKeyNCICKUURGPDNTQ-UHFFFAOYSA-N
XLogP2.01
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
CID 54934592
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
CID 115356029
N,N-diethyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propanamide
CID 54881769
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide (CID 60926055) is 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)c1cc(O)ccc1O.
What is the InChIKey of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is NCICKUURGPDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17(5-2)15(20)8-9-16-11(3)13-10-12(18)6-7-14(13)19/h6-7,10-11,16,18-19H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide?
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60926055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).