3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide

C12H18N2O2 — CID 43553192

IUPAC3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCCC(N)=O)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-8-3-4-10(11(15)7-8)9(2)14-6-5-12(13)16/h3-4,7,9,14-15H,5-6H2,1-2H3,(H2,13,16)
InChIKeyVBXXZVAQYNOXMO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds5

About 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide

3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide (PubChem CID 43553192) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
PubChem CID43553192
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCCC(N)=O)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-8-3-4-10(11(15)7-8)9(2)14-6-5-12(13)16/h3-4,7,9,14-15H,5-6H2,1-2H3,(H2,13,16)
InChIKeyVBXXZVAQYNOXMO-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
CID 43135042
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide?
The IUPAC name of 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide (CID 43553192) is 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide is Cc1ccc(C(C)NCCC(N)=O)c(O)c1.
What is the InChIKey of 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide?
The InChIKey is VBXXZVAQYNOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-3-4-10(11(15)7-8)9(2)14-6-5-12(13)16/h3-4,7,9,14-15H,5-6H2,1-2H3,(H2,13,16).
What are the key properties of 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide?
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 43553192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).