N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide

C11H16N2O3 — CID 107725067

IUPACN-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
SMILESCCNCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H16N2O3/c1-2-12-5-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,12,14-15H,2,5-6H2,1H3,(H,13,16)
InChIKeyPHQSXUUEPFBNLE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.44
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide

N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide (PubChem CID 107725067) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
PubChem CID107725067
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
SMILESCCNCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H16N2O3/c1-2-12-5-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,12,14-15H,2,5-6H2,1H3,(H,13,16)
InChIKeyPHQSXUUEPFBNLE-UHFFFAOYSA-N
XLogP0.44
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide (CID 107725067) is N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide is CCNCCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide?
The InChIKey is PHQSXUUEPFBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-12-5-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,12,14-15H,2,5-6H2,1H3,(H,13,16).
What are the key properties of N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide?
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).