N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide

C14H21NO3 — CID 14112812

IUPACN-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C)c1C(C)O
InChIInChI=1S/C14H21NO3/c1-9(16)12-10(7-6-8-11(12)18-5)15-13(17)14(2,3)4/h6-9,16H,1-5H3,(H,15,17)
InChIKeyFWNUZVUOASEPGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.73
Rot. Bonds3

About N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide

N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 14112812) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID14112812
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C)c1C(C)O
InChIInChI=1S/C14H21NO3/c1-9(16)12-10(7-6-8-11(12)18-5)15-13(17)14(2,3)4/h6-9,16H,1-5H3,(H,15,17)
InChIKeyFWNUZVUOASEPGR-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide (CID 14112812) is N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide is COc1cccc(NC(=O)C(C)(C)C)c1C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is FWNUZVUOASEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(16)12-10(7-6-8-11(12)18-5)15-13(17)14(2,3)4/h6-9,16H,1-5H3,(H,15,17).
What are the key properties of N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide?
N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 14112812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).