N-[4-(hydroxymethyl)phenyl]-N-methylacetamide

C10H13NO2 — CID 54439979

IUPACN-[4-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(CO)cc1
InChIInChI=1S/C10H13NO2/c1-8(13)11(2)10-5-3-9(7-12)4-6-10/h3-6,12H,7H2,1-2H3
InChIKeyWNKNVJWIXPQJKO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.16
Rot. Bonds2

About N-[4-(hydroxymethyl)phenyl]-N-methylacetamide

N-[4-(hydroxymethyl)phenyl]-N-methylacetamide (PubChem CID 54439979) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-N-methylacetamide
PubChem CID54439979
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[4-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(CO)cc1
InChIInChI=1S/C10H13NO2/c1-8(13)11(2)10-5-3-9(7-12)4-6-10/h3-6,12H,7H2,1-2H3
InChIKeyWNKNVJWIXPQJKO-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-N-methylacetamide (CID 54439979) is N-[4-(hydroxymethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-N-methylacetamide?
The InChIKey is WNKNVJWIXPQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(13)11(2)10-5-3-9(7-12)4-6-10/h3-6,12H,7H2,1-2H3.
What are the key properties of N-[4-(hydroxymethyl)phenyl]-N-methylacetamide?
N-[4-(hydroxymethyl)phenyl]-N-methylacetamide has a molecular weight of 179.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 54439979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).