4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide

C12H15NO4 — CID 142179795

IUPAC4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C12H15NO4/c1-13-12(16)3-2-6-17-10-5-4-9(8-14)11(15)7-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyDOVPGAZZQZRNNE-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.11
Rot. Bonds6

About 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide

4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide (PubChem CID 142179795) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
PubChem CID142179795
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(C=O)c(O)c1
InChIInChI=1S/C12H15NO4/c1-13-12(16)3-2-6-17-10-5-4-9(8-14)11(15)7-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyDOVPGAZZQZRNNE-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide (CID 142179795) is 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(C=O)c(O)c1.
What is the InChIKey of 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide?
The InChIKey is DOVPGAZZQZRNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13-12(16)3-2-6-17-10-5-4-9(8-14)11(15)7-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,13,16).
What are the key properties of 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide?
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide has a molecular weight of 237.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 142179795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).