3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide

C13H20N2O4 — CID 171869443

IUPAC3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide
SMILESCCN(CC)c1ccc(C(O)C(O)C(N)=O)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-3-15(4-2)8-5-6-9(10(16)7-8)11(17)12(18)13(14)19/h5-7,11-12,16-18H,3-4H2,1-2H3,(H2,14,19)
InChIKeyQKZQXEVCOFEAJC-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.12
Rot. Bonds6

About 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide

3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide (PubChem CID 171869443) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide
PubChem CID171869443
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide
SMILESCCN(CC)c1ccc(C(O)C(O)C(N)=O)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-3-15(4-2)8-5-6-9(10(16)7-8)11(17)12(18)13(14)19/h5-7,11-12,16-18H,3-4H2,1-2H3,(H2,14,19)
InChIKeyQKZQXEVCOFEAJC-UHFFFAOYSA-N
XLogP0.12
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide 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

ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
1-[4-(diethylamino)-2-hydroxyphenyl]-3-(methylamino)propane-1,2-diol
CID 171859206
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
2-[[4-(diethylamino)-2-hydroxyphenyl]-hydroxymethyl]benzoic acid
CID 91224589
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
ethyl (3S)-3-amino-3-[4-(diethylamino)-2-hydroxyphenyl]-2,2-difluoropropanoate;hydrochloride
CID 171245470
2-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-5-(diethylamino)phenol;hydrochloride
CID 171266478

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide (CID 171869443) is 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide is CCN(CC)c1ccc(C(O)C(O)C(N)=O)c(O)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide?
The InChIKey is QKZQXEVCOFEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-15(4-2)8-5-6-9(10(16)7-8)11(17)12(18)13(14)19/h5-7,11-12,16-18H,3-4H2,1-2H3,(H2,14,19).
What are the key properties of 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide?
3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide has a molecular weight of 268.31 g/mol, XLogP of 0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).