N-benzyl-3-hydroxy-3-phenylbutanamide

C17H19NO2 — CID 110024222

IUPACN-benzyl-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(20,15-10-6-3-7-11-15)12-16(19)18-13-14-8-4-2-5-9-14/h2-11,20H,12-13H2,1H3,(H,18,19)
InChIKeyKVVFBPZYUIBRBV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.60
Rot. Bonds5

About N-benzyl-3-hydroxy-3-phenylbutanamide

N-benzyl-3-hydroxy-3-phenylbutanamide (PubChem CID 110024222) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-3-phenylbutanamide
PubChem CID110024222
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(20,15-10-6-3-7-11-15)12-16(19)18-13-14-8-4-2-5-9-14/h2-11,20H,12-13H2,1H3,(H,18,19)
InChIKeyKVVFBPZYUIBRBV-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-benzyl-3-hydroxy-3-phenylbutanamide (CID 110024222) is N-benzyl-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-benzyl-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-benzyl-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-hydroxy-3-phenylbutanamide?
The InChIKey is KVVFBPZYUIBRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(20,15-10-6-3-7-11-15)12-16(19)18-13-14-8-4-2-5-9-14/h2-11,20H,12-13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-hydroxy-3-phenylbutanamide?
N-benzyl-3-hydroxy-3-phenylbutanamide has a molecular weight of 269.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).