2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride

C13H21ClN2O3 — CID 119328681

IUPAC2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(2)18-11-5-3-10(4-6-11)12(16)8-15-13(17)7-14;/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17);1H
InChIKeyUGAPULCEYWMAOX-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.00
Rot. Bonds6

About 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119328681) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119328681
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(2)18-11-5-3-10(4-6-11)12(16)8-15-13(17)7-14;/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17);1H
InChIKeyUGAPULCEYWMAOX-UHFFFAOYSA-N
XLogP1.00
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride (CID 119328681) is 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride is CC(C)Oc1ccc(C(O)CNC(=O)CN)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is UGAPULCEYWMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-9(2)18-11-5-3-10(4-6-11)12(16)8-15-13(17)7-14;/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride?
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119328681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).