2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide

C17H28N2O2 — CID 43675117

IUPAC2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCc1ccc(O)c(C(C)NC(CC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-11(2)9-15(17(21)19(5)6)18-13(4)14-10-12(3)7-8-16(14)20/h7-8,10-11,13,15,18,20H,9H2,1-6H3
InChIKeyHKKAOFDBLQUZTG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide

2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide (PubChem CID 43675117) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
PubChem CID43675117
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCc1ccc(O)c(C(C)NC(CC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-11(2)9-15(17(21)19(5)6)18-13(4)14-10-12(3)7-8-16(14)20/h7-8,10-11,13,15,18,20H,9H2,1-6H3
InChIKeyHKKAOFDBLQUZTG-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.85
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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Related Compounds

2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 60781725
2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675015
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
4-methyl-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 113429527
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
CID 43689048
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide (CID 43675117) is 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide is Cc1ccc(O)c(C(C)NC(CC(C)C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide?
The InChIKey is HKKAOFDBLQUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)9-15(17(21)19(5)6)18-13(4)14-10-12(3)7-8-16(14)20/h7-8,10-11,13,15,18,20H,9H2,1-6H3.
What are the key properties of 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide?
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43675117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).