2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide

C12H18N2O3 — CID 43545388

IUPAC2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(O)c(C(C)NC(C)C(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-7(14-8(2)12(13)16)10-6-9(17-3)4-5-11(10)15/h4-8,14-15H,1-3H3,(H2,13,16)
InChIKeyFTODPOQUKQHEHP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds5

About 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide

2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide (PubChem CID 43545388) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
PubChem CID43545388
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(O)c(C(C)NC(C)C(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-7(14-8(2)12(13)16)10-6-9(17-3)4-5-11(10)15/h4-8,14-15H,1-3H3,(H2,13,16)
InChIKeyFTODPOQUKQHEHP-UHFFFAOYSA-N
XLogP0.93
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
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-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-4-methoxyphenol
CID 104980961
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
CID 43545402
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
2-[1-(2,6-dihydroxyphenyl)ethylamino]propanamide
CID 107710565
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
4-methoxy-2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 43703184
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide (CID 43545388) is 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide is COc1ccc(O)c(C(C)NC(C)C(N)=O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide?
The InChIKey is FTODPOQUKQHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(14-8(2)12(13)16)10-6-9(17-3)4-5-11(10)15/h4-8,14-15H,1-3H3,(H2,13,16).
What are the key properties of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide?
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.93, 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-5-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43545388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).