N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide

C15H16N2O4 — CID 114343182

IUPACN-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
SMILESNc1ccc(OCCNC(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C15H16N2O4/c16-10-4-6-11(7-5-10)21-9-8-17-15(20)12-2-1-3-13(18)14(12)19/h1-7,18-19H,8-9,16H2,(H,17,20)
InChIKeyMNXFQSMMKVSNCL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide

N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide (PubChem CID 114343182) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
PubChem CID114343182
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
SMILESNc1ccc(OCCNC(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C15H16N2O4/c16-10-4-6-11(7-5-10)21-9-8-17-15(20)12-2-1-3-13(18)14(12)19/h1-7,18-19H,8-9,16H2,(H,17,20)
InChIKeyMNXFQSMMKVSNCL-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61031991
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
CID 107731148
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide (CID 114343182) is N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide is Nc1ccc(OCCNC(=O)c2cccc(O)c2O)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide?
The InChIKey is MNXFQSMMKVSNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-10-4-6-11(7-5-10)21-9-8-17-15(20)12-2-1-3-13(18)14(12)19/h1-7,18-19H,8-9,16H2,(H,17,20).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide?
N-[2-(4-aminophenoxy)ethyl]-2,3-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-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).