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

C15H16N2O4 — CID 107702195

IUPACN-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H16N2O4/c16-11-2-1-3-14(8-11)21-5-4-17-15(20)10-6-12(18)9-13(19)7-10/h1-3,6-9,18-19H,4-5,16H2,(H,17,20)
InChIKeyRMNHOQZREMKSOE-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.49
Rot. Bonds5

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

N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide (PubChem CID 107702195) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
PubChem CID107702195
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C15H16N2O4/c16-11-2-1-3-14(8-11)21-5-4-17-15(20)10-6-12(18)9-13(19)7-10/h1-3,6-9,18-19H,4-5,16H2,(H,17,20)
InChIKeyRMNHOQZREMKSOE-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-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
CID 82874414
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
CID 107731148
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
CID 61030857
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(3-aminophenoxy)ethyl]-3-methylbut-2-enamide
CID 63237413
N-[2-(3-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61032515

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide (CID 107702195) is N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide is Nc1cccc(OCCNC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
The InChIKey is RMNHOQZREMKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-11-2-1-3-14(8-11)21-5-4-17-15(20)10-6-12(18)9-13(19)7-10/h1-3,6-9,18-19H,4-5,16H2,(H,17,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide?
N-[2-(3-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-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).