2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide

C14H21NO3 — CID 43118029

IUPAC2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide
SMILESCc1cc(CO)cc(C)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H21NO3/c1-9-6-12(8-16)7-10(2)13(9)18-11(3)14(17)15(4)5/h6-7,11,16H,8H2,1-5H3
InChIKeyXVDHDLCICBZBLJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide

2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide (PubChem CID 43118029) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide
PubChem CID43118029
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide
SMILESCc1cc(CO)cc(C)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H21NO3/c1-9-6-12(8-16)7-10(2)13(9)18-11(3)14(17)15(4)5/h6-7,11,16H,8H2,1-5H3
InChIKeyXVDHDLCICBZBLJ-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide (CID 43118029) is 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide is Cc1cc(CO)cc(C)c1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is XVDHDLCICBZBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-12(8-16)7-10(2)13(9)18-11(3)14(17)15(4)5/h6-7,11,16H,8H2,1-5H3.
What are the key properties of 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide?
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43118029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).