N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide

C14H21NO2 — CID 65037096

IUPACN-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
SMILESCC(CO)CNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)10-15-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3,(H,15,17)
InChIKeyNWZJAFBBILDNBJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide

N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide (PubChem CID 65037096) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
PubChem CID65037096
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
SMILESCC(CO)CNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)10-15-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3,(H,15,17)
InChIKeyNWZJAFBBILDNBJ-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(2-chloro-4,4-dimethylpentyl)-4-phenylbutanamide
CID 107156998
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide (CID 65037096) is N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide is CC(CO)CNC(=O)CCCc1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide?
The InChIKey is NWZJAFBBILDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(11-16)10-15-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide?
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 65037096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).