N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide

C14H22N2O2 — CID 43574263

IUPACN-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)ccc1O
InChIInChI=1S/C14H22N2O2/c1-5-15-14(18)11(4)16-10(3)12-8-9(2)6-7-13(12)17/h6-8,10-11,16-17H,5H2,1-4H3,(H,15,18)
InChIKeyMIRMYGNTVKUYMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide

N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide (PubChem CID 43574263) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
PubChem CID43574263
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)ccc1O
InChIInChI=1S/C14H22N2O2/c1-5-15-14(18)11(4)16-10(3)12-8-9(2)6-7-13(12)17/h6-8,10-11,16-17H,5H2,1-4H3,(H,15,18)
InChIKeyMIRMYGNTVKUYMZ-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
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

ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
CID 60673321
4-methyl-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 113429527
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675117
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide (CID 43574263) is N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide is CCNC(=O)C(C)NC(C)c1cc(C)ccc1O.
What is the InChIKey of N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide?
The InChIKey is MIRMYGNTVKUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-15-14(18)11(4)16-10(3)12-8-9(2)6-7-13(12)17/h6-8,10-11,16-17H,5H2,1-4H3,(H,15,18).
What are the key properties of N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide?
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 43574263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).