N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide

C18H21NO2 — CID 44560508

IUPACN-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,16(20)15-11-7-4-8-12-15)17(21)19-13-14-9-5-3-6-10-14/h3-12,16,20H,13H2,1-2H3,(H,19,21)
InChIKeyCHMHOZNVHTWRQV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.06
Rot. Bonds5

About N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide

N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide (PubChem CID 44560508) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
PubChem CID44560508
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,16(20)15-11-7-4-8-12-15)17(21)19-13-14-9-5-3-6-10-14/h3-12,16,20H,13H2,1-2H3,(H,19,21)
InChIKeyCHMHOZNVHTWRQV-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.06
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-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide (CID 44560508) is N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide is CC(C)(C(=O)NCc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is CHMHOZNVHTWRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,16(20)15-11-7-4-8-12-15)17(21)19-13-14-9-5-3-6-10-14/h3-12,16,20H,13H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.06, 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-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 44560508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).