N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide

C14H21NO2 — CID 115870187

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
SMILESCC(C)(CCO)NC(=O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,10-11-16)15-13(17)9-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3,(H,15,17)
InChIKeyMHFYAORFADQJFP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds6

About N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide

N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide (PubChem CID 115870187) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
PubChem CID115870187
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
SMILESCC(C)(CCO)NC(=O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,10-11-16)15-13(17)9-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3,(H,15,17)
InChIKeyMHFYAORFADQJFP-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
CID 61121154
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide (CID 115870187) is N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide is CC(C)(CCO)NC(=O)CCc1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide?
The InChIKey is MHFYAORFADQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,10-11-16)15-13(17)9-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 115870187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).