N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide

C15H23NO2 — CID 64558137

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
SMILESCCC(C)(CO)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-15(3,11-17)16-14(18)10-9-13-7-5-12(2)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyVMNGAUDTTKCIRG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.20
Rot. Bonds6

About N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide

N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 64558137) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID64558137
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
SMILESCCC(C)(CO)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-15(3,11-17)16-14(18)10-9-13-7-5-12(2)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyVMNGAUDTTKCIRG-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64557976
N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide
CID 62503279
N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 64557985
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153294
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556156
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide (CID 64558137) is N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide is CCC(C)(CO)NC(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is VMNGAUDTTKCIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(3,11-17)16-14(18)10-9-13-7-5-12(2)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 64558137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).