3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

C15H24N2O2 — CID 105400828

IUPAC3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cc(C)ccc1O
InChIInChI=1S/C15H24N2O2/c1-10-6-7-14(18)13(8-10)12(3)17(5)9-11(2)15(19)16-4/h6-8,11-12,18H,9H2,1-5H3,(H,16,19)
InChIKeyVESSLCDPSGDYIT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds5

About 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide

3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 105400828) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
PubChem CID105400828
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(C)c1cc(C)ccc1O
InChIInChI=1S/C15H24N2O2/c1-10-6-7-14(18)13(8-10)12(3)17(5)9-11(2)15(19)16-4/h6-8,11-12,18H,9H2,1-5H3,(H,16,19)
InChIKeyVESSLCDPSGDYIT-UHFFFAOYSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide (CID 105400828) is 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(C)c1cc(C)ccc1O.
What is the InChIKey of 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is VESSLCDPSGDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-7-14(18)13(8-10)12(3)17(5)9-11(2)15(19)16-4/h6-8,11-12,18H,9H2,1-5H3,(H,16,19).
What are the key properties of 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide?
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 105400828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).