2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide

C15H16N2O3 — CID 43711101

IUPAC2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O3/c16-15(19)10-20-14-6-4-12(5-7-14)17-9-11-2-1-3-13(18)8-11/h1-8,17-18H,9-10H2,(H2,16,19)
InChIKeyQHDIZHOYTSRJFK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.87
Rot. Bonds6

About 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide

2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide (PubChem CID 43711101) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
PubChem CID43711101
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O3/c16-15(19)10-20-14-6-4-12(5-7-14)17-9-11-2-1-3-13(18)8-11/h1-8,17-18H,9-10H2,(H2,16,19)
InChIKeyQHDIZHOYTSRJFK-UHFFFAOYSA-N
XLogP1.87
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide (CID 43711101) is 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide?
The InChIKey is QHDIZHOYTSRJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-15(19)10-20-14-6-4-12(5-7-14)17-9-11-2-1-3-13(18)8-11/h1-8,17-18H,9-10H2,(H2,16,19).
What are the key properties of 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide?
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 43711101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).