2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide

C11H16N2O3 — CID 14211540

IUPAC2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
SMILESNCC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)
InChIKeyUWMXVJVTKRSOPW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.59
Rot. Bonds6

About 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide

2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide (PubChem CID 14211540) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
PubChem CID14211540
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
SMILESNCC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)
InChIKeyUWMXVJVTKRSOPW-UHFFFAOYSA-N
XLogP-0.59
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide (CID 14211540) is 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide is NCC(O)COc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide?
The InChIKey is UWMXVJVTKRSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15).
What are the key properties of 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide?
2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide is sourced from PubChem (CID 14211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).