N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide

C14H21NO2 — CID 55157876

IUPACN-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)13(17)15-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17)
InChIKeyOSEBUAWBKNVUKG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide

N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide (PubChem CID 55157876) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
PubChem CID55157876
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)13(17)15-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17)
InChIKeyOSEBUAWBKNVUKG-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide (CID 55157876) is N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide?
The InChIKey is OSEBUAWBKNVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(2,3)13(17)15-12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide?
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 55157876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).