3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C16H25NO2 — CID 79291504

IUPAC3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)10-11-15(18)17(4)12-16(2,3)19/h6-9,19H,5,10-12H2,1-4H3
InChIKeyWYSUOIKBUVTMSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.41
Rot. Bonds6

About 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 79291504) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID79291504
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)10-11-15(18)17(4)12-16(2,3)19/h6-9,19H,5,10-12H2,1-4H3
InChIKeyWYSUOIKBUVTMSX-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
CID 111543280
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 79291504) is 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CCc1ccc(CCC(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is WYSUOIKBUVTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13-6-8-14(9-7-13)10-11-15(18)17(4)12-16(2,3)19/h6-9,19H,5,10-12H2,1-4H3.
What are the key properties of 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 79291504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).