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

C15H23NO2 — CID 121446752

IUPACN-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C(CO)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-15(2,3)14(18)16(4)13(11-17)12-9-7-6-8-10-12/h6-10,13,17H,5,11H2,1-4H3
InChIKeyFXNBMRDWJAXUSP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.61
Rot. Bonds5

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

N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide (PubChem CID 121446752) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
PubChem CID121446752
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C(CO)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-15(2,3)14(18)16(4)13(11-17)12-9-7-6-8-10-12/h6-10,13,17H,5,11H2,1-4H3
InChIKeyFXNBMRDWJAXUSP-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide (CID 121446752) is N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)C(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide?
The InChIKey is FXNBMRDWJAXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-15(2,3)14(18)16(4)13(11-17)12-9-7-6-8-10-12/h6-10,13,17H,5,11H2,1-4H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide?
N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).