N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide

C13H19NO3 — CID 103771888

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,17-3)12(16)14-11-6-4-10(5-7-11)8-9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyNBNHTFPWXSVHHE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide

N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103771888) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103771888
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,17-3)12(16)14-11-6-4-10(5-7-11)8-9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyNBNHTFPWXSVHHE-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide (CID 103771888) is N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is NBNHTFPWXSVHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17-3)12(16)14-11-6-4-10(5-7-11)8-9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide?
N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103771888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).