N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide

C15H16N2O4 — CID 107702196

IUPACN-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
SMILESNc1ccccc1OCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O4/c16-13-3-1-2-4-14(13)21-6-5-17-15(20)10-7-11(18)9-12(19)8-10/h1-4,7-9,18-19H,5-6,16H2,(H,17,20)
InChIKeyRHUMFXYLKKWLKW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide

N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide (PubChem CID 107702196) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
PubChem CID107702196
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
SMILESNc1ccccc1OCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O4/c16-13-3-1-2-4-14(13)21-6-5-17-15(20)10-7-11(18)9-12(19)8-10/h1-4,7-9,18-19H,5-6,16H2,(H,17,20)
InChIKeyRHUMFXYLKKWLKW-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
CID 171675779
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide (CID 107702196) is N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide is Nc1ccccc1OCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The InChIKey is RHUMFXYLKKWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-13-3-1-2-4-14(13)21-6-5-17-15(20)10-7-11(18)9-12(19)8-10/h1-4,7-9,18-19H,5-6,16H2,(H,17,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide has a molecular weight of 288.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).