N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide

C12H17NO3 — CID 60879910

IUPACN-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)13-10-4-6-11(7-5-10)16-8-12(2,3)15/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyLTJXRDMLQKOKED-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.79
Rot. Bonds4

About N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide

N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide (PubChem CID 60879910) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
PubChem CID60879910
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(C)(C)O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)13-10-4-6-11(7-5-10)16-8-12(2,3)15/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyLTJXRDMLQKOKED-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
N-[4-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]phenyl]acetamide
CID 66336225
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-pyridin-2-ylpropanamide
CID 58860966
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide (CID 60879910) is N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC(C)(C)O)cc1.
What is the InChIKey of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide?
The InChIKey is LTJXRDMLQKOKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)13-10-4-6-11(7-5-10)16-8-12(2,3)15/h4-7,15H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide?
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 60879910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).