2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide

C12H18N2O3 — CID 61210705

IUPAC2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(N)=O)c1cc(O)ccc1O
InChIInChI=1S/C12H18N2O3/c1-7(14-12(2,3)11(13)17)9-6-8(15)4-5-10(9)16/h4-7,14-16H,1-3H3,(H2,13,17)
InChIKeyRFEOYPVPCLOMCO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide

2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide (PubChem CID 61210705) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
PubChem CID61210705
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
SMILESCC(NC(C)(C)C(N)=O)c1cc(O)ccc1O
InChIInChI=1S/C12H18N2O3/c1-7(14-12(2,3)11(13)17)9-6-8(15)4-5-10(9)16/h4-7,14-16H,1-3H3,(H2,13,17)
InChIKeyRFEOYPVPCLOMCO-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide?
The IUPAC name of 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide (CID 61210705) is 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide?
The canonical SMILES for 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide is CC(NC(C)(C)C(N)=O)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide?
The InChIKey is RFEOYPVPCLOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(14-12(2,3)11(13)17)9-6-8(15)4-5-10(9)16/h4-7,14-16H,1-3H3,(H2,13,17).
What are the key properties of 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide?
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide is sourced from PubChem (CID 61210705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).