2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide

C11H16N2O3 — CID 43200366

IUPAC2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(C(C)NCC(N)=O)c(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(13-6-11(12)15)9-4-3-8(16-2)5-10(9)14/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyIQLSTAQMUJHNAI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.54
Rot. Bonds5

About 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide

2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide (PubChem CID 43200366) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
PubChem CID43200366
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(C(C)NCC(N)=O)c(O)c1
InChIInChI=1S/C11H16N2O3/c1-7(13-6-11(12)15)9-4-3-8(16-2)5-10(9)14/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyIQLSTAQMUJHNAI-UHFFFAOYSA-N
XLogP0.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
CID 64682826
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide (CID 43200366) is 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide is COc1ccc(C(C)NCC(N)=O)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide?
The InChIKey is IQLSTAQMUJHNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(13-6-11(12)15)9-4-3-8(16-2)5-10(9)14/h3-5,7,13-14H,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide?
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 43200366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).