N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide

C15H16N2O4 — CID 107721250

IUPACN-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide
SMILESNCCOc1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H16N2O4/c16-7-8-21-14-4-2-1-3-12(14)17-15(20)11-9-10(18)5-6-13(11)19/h1-6,9,18-19H,7-8,16H2,(H,17,20)
InChIKeyKIUCCQSUXIJUJP-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide

N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide (PubChem CID 107721250) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide
PubChem CID107721250
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide
SMILESNCCOc1ccccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H16N2O4/c16-7-8-21-14-4-2-1-3-12(14)17-15(20)11-9-10(18)5-6-13(11)19/h1-6,9,18-19H,7-8,16H2,(H,17,20)
InChIKeyKIUCCQSUXIJUJP-UHFFFAOYSA-N
XLogP1.69
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]-2,6-dihydroxybenzamide
CID 107687422
N-[2-(2-aminoethoxy)phenyl]-3-hydroxy-2-methylbenzamide
CID 82809720
2-amino-N-(2-ethoxyphenyl)-5-hydroxybenzamide
CID 107073822
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 43175580
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
N-[2-(2-aminoethoxy)phenyl]-2-ethylbutanamide
CID 43369538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide (CID 107721250) is N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide is NCCOc1ccccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide?
The InChIKey is KIUCCQSUXIJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-7-8-21-14-4-2-1-3-12(14)17-15(20)11-9-10(18)5-6-13(11)19/h1-6,9,18-19H,7-8,16H2,(H,17,20).
What are the key properties of N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide?
N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide has a molecular weight of 288.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)phenyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).