2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide

C12H15NO4 — CID 19857254

IUPAC2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cc(C=O)ccc1O)C(=O)N(C)C
InChIInChI=1S/C12H15NO4/c1-8(12(16)13(2)3)17-11-6-9(7-14)4-5-10(11)15/h4-8,15H,1-3H3
InChIKeyYKZMWNYQUFUYQT-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.06
Rot. Bonds4

About 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide

2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide (PubChem CID 19857254) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide
PubChem CID19857254
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cc(C=O)ccc1O)C(=O)N(C)C
InChIInChI=1S/C12H15NO4/c1-8(12(16)13(2)3)17-11-6-9(7-14)4-5-10(11)15/h4-8,15H,1-3H3
InChIKeyYKZMWNYQUFUYQT-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
CID 130345281
CID 130345281
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
(E)-2-cyano-3-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enamide
CID 7911553

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide (CID 19857254) is 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide is CC(Oc1cc(C=O)ccc1O)C(=O)N(C)C.
What is the InChIKey of 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide?
The InChIKey is YKZMWNYQUFUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(16)13(2)3)17-11-6-9(7-14)4-5-10(11)15/h4-8,15H,1-3H3.
What are the key properties of 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide?
2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide has a molecular weight of 237.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-hydroxyphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 19857254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).