N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide

C18H21NO2 — CID 28740208

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)CCc1ccccc1)c1cc(O)ccc1C
InChIInChI=1S/C18H21NO2/c1-3-19(17-13-16(20)11-9-14(17)2)18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeyIMCGDCULCMYKJV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide (PubChem CID 28740208) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
PubChem CID28740208
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)CCc1ccccc1)c1cc(O)ccc1C
InChIInChI=1S/C18H21NO2/c1-3-19(17-13-16(20)11-9-14(17)2)18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13,20H,3,10,12H2,1-2H3
InChIKeyIMCGDCULCMYKJV-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
3-benzyl-1-ethyl-1-(5-hydroxy-2-methylphenyl)urea
CID 107653693
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
N-(2,4-dimethylphenyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 86927158
4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 107737106
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide (CID 28740208) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide is CCN(C(=O)CCc1ccccc1)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is IMCGDCULCMYKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(17-13-16(20)11-9-14(17)2)18(21)12-10-15-7-5-4-6-8-15/h4-9,11,13,20H,3,10,12H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 28740208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).