N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide

C15H16N2O3 — CID 61031492

IUPACN-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
SMILESNc1cccc(OCCNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C15H16N2O3/c16-12-2-1-3-14(10-12)20-9-8-17-15(19)11-4-6-13(18)7-5-11/h1-7,10,18H,8-9,16H2,(H,17,19)
InChIKeyIMMYJSPTIYGAGR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds5

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

N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide (PubChem CID 61031492) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
PubChem CID61031492
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
SMILESNc1cccc(OCCNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C15H16N2O3/c16-12-2-1-3-14(10-12)20-9-8-17-15(19)11-4-6-13(18)7-5-11/h1-7,10,18H,8-9,16H2,(H,17,19)
InChIKeyIMMYJSPTIYGAGR-UHFFFAOYSA-N
XLogP1.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-3,5-dihydroxybenzamide
CID 107702195
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
CID 82874414
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
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-[3-(3-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 142629548

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide (CID 61031492) is N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide is Nc1cccc(OCCNC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide?
The InChIKey is IMMYJSPTIYGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-12-2-1-3-14(10-12)20-9-8-17-15(19)11-4-6-13(18)7-5-11/h1-7,10,18H,8-9,16H2,(H,17,19).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide?
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 61031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).