5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide

C13H20N2O3 — CID 106234212

IUPAC5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1ccc(O)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(15-7-3-2-4-13(14)18)11-6-5-10(16)8-12(11)17/h5-6,8-9,15-17H,2-4,7H2,1H3,(H2,14,18)
InChIKeyZGBFSPYBLYIHFC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.40
Rot. Bonds7

About 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide

5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide (PubChem CID 106234212) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
PubChem CID106234212
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1ccc(O)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(15-7-3-2-4-13(14)18)11-6-5-10(16)8-12(11)17/h5-6,8-9,15-17H,2-4,7H2,1H3,(H2,14,18)
InChIKeyZGBFSPYBLYIHFC-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide (CID 106234212) is 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide is CC(NCCCCC(N)=O)c1ccc(O)cc1O.
What is the InChIKey of 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide?
The InChIKey is ZGBFSPYBLYIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(15-7-3-2-4-13(14)18)11-6-5-10(16)8-12(11)17/h5-6,8-9,15-17H,2-4,7H2,1H3,(H2,14,18).
What are the key properties of 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide?
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide is sourced from PubChem (CID 106234212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).