3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide

C16H25NO2 — CID 110026094

IUPAC3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
SMILESCC(C)CC(C)NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-13(3)17-15(18)11-16(4,19)14-8-6-5-7-9-14/h5-9,12-13,19H,10-11H2,1-4H3,(H,17,18)
InChIKeyPHXVMVAPISXRTL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds6

About 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide

3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide (PubChem CID 110026094) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
PubChem CID110026094
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
SMILESCC(C)CC(C)NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-13(3)17-15(18)11-16(4,19)14-8-6-5-7-9-14/h5-9,12-13,19H,10-11H2,1-4H3,(H,17,18)
InChIKeyPHXVMVAPISXRTL-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide
CID 110026435
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 43529154
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methyl-3-phenylbutanamide
CID 96539664
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
CID 110025916
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide (CID 110026094) is 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide is CC(C)CC(C)NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide?
The InChIKey is PHXVMVAPISXRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-13(3)17-15(18)11-16(4,19)14-8-6-5-7-9-14/h5-9,12-13,19H,10-11H2,1-4H3,(H,17,18).
What are the key properties of 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide?
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 110026094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).