2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide

C17H20N2O4 — CID 23276135

IUPAC2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
SMILESNC(=O)c1cc(OCCNCC(O)c2ccccc2)ccc1O
InChIInChI=1S/C17H20N2O4/c18-17(22)14-10-13(6-7-15(14)20)23-9-8-19-11-16(21)12-4-2-1-3-5-12/h1-7,10,16,19-21H,8-9,11H2,(H2,18,22)
InChIKeyCCPISVXYQCVBOQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.19
Rot. Bonds8

About 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide

2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide (PubChem CID 23276135) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
PubChem CID23276135
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
SMILESNC(=O)c1cc(OCCNCC(O)c2ccccc2)ccc1O
InChIInChI=1S/C17H20N2O4/c18-17(22)14-10-13(6-7-15(14)20)23-9-8-19-11-16(21)12-4-2-1-3-5-12/h1-7,10,16,19-21H,8-9,11H2,(H2,18,22)
InChIKeyCCPISVXYQCVBOQ-UHFFFAOYSA-N
XLogP1.19
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[[2-(4-chloro-3-nitrophenyl)-2-hydroxyethyl]amino]ethoxy]-2-hydroxybenzamide
CID 70598963
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
2-hydroxy-5-[2-[[2-hydroxy-3-[(2-oxo-3H-benzimidazol-1-yl)oxy]propyl]amino]ethoxy]benzamide;hydrochloride
CID 70426742
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 22750171
2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 54157516
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetamide;hydrochloride
CID 67791193
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]-N-methylsulfonyl-2-propoxybenzamide
CID 69102903
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
4-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]-2-(2-methylpropyl)-N-methylsulfonylbenzamide
CID 69103384
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide (CID 23276135) is 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide is NC(=O)c1cc(OCCNCC(O)c2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide?
The InChIKey is CCPISVXYQCVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c18-17(22)14-10-13(6-7-15(14)20)23-9-8-19-11-16(21)12-4-2-1-3-5-12/h1-7,10,16,19-21H,8-9,11H2,(H2,18,22).
What are the key properties of 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide?
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide has a molecular weight of 316.36 g/mol, XLogP of 1.19, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide is sourced from PubChem (CID 23276135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).