N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride

C11H17ClN2O4 — CID 170901975

IUPACN-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(C(O)C(=O)NCCN)ccc1O.Cl
InChIInChI=1S/C11H16N2O4.ClH/c1-17-9-6-7(2-3-8(9)14)10(15)11(16)13-5-4-12;/h2-3,6,10,14-15H,4-5,12H2,1H3,(H,13,16);1H
InChIKeyAGKZQYCKPZOWNJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP-0.07
Rot. Bonds5

About N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride (PubChem CID 170901975) has the molecular formula C11H17ClN2O4 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
PubChem CID170901975
Molecular FormulaC11H17ClN2O4
Molecular Weight276.72 g/mol
Exact Mass276.09
IUPAC NameN-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(C(O)C(=O)NCCN)ccc1O.Cl
InChIInChI=1S/C11H16N2O4.ClH/c1-17-9-6-7(2-3-8(9)14)10(15)11(16)13-5-4-12;/h2-3,6,10,14-15H,4-5,12H2,1H3,(H,13,16);1H
InChIKeyAGKZQYCKPZOWNJ-UHFFFAOYSA-N
XLogP-0.07
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 69017627
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
CID 11207139
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride (CID 170901975) is N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride is COc1cc(C(O)C(=O)NCCN)ccc1O.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is AGKZQYCKPZOWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4.ClH/c1-17-9-6-7(2-3-8(9)14)10(15)11(16)13-5-4-12;/h2-3,6,10,14-15H,4-5,12H2,1H3,(H,13,16);1H.
What are the key properties of N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 276.72 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 170901975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).