2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride

C12H19ClN2O4 — CID 18340

IUPAC2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl
InChIInChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H
InChIKeyMGCQZNBCJBRZDT-UHFFFAOYSA-N
MW290.75 g/mol
LogP0.23
Rot. Bonds6

About 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride

2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride (PubChem CID 18340) has the molecular formula C12H19ClN2O4 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
PubChem CID18340
Molecular FormulaC12H19ClN2O4
Molecular Weight290.75 g/mol
Exact Mass290.10
IUPAC Name2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl
InChIInChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H
InChIKeyMGCQZNBCJBRZDT-UHFFFAOYSA-N
XLogP0.23
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride (CID 18340) is 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride is COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
The InChIKey is MGCQZNBCJBRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride?
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride is sourced from PubChem (CID 18340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).