2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide

C14H19NO3 — CID 43086482

IUPAC2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)8-15-14(17)11(3)18-13-6-4-12(9-16)5-7-13/h4-7,9-11H,8H2,1-3H3,(H,15,17)
InChIKeyASKQKSJQVSRLEE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds6

About 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide

2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 43086482) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
PubChem CID43086482
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)8-15-14(17)11(3)18-13-6-4-12(9-16)5-7-13/h4-7,9-11H,8H2,1-3H3,(H,15,17)
InChIKeyASKQKSJQVSRLEE-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43116981
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-(5-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 62116591
(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide (CID 43086482) is 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is ASKQKSJQVSRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)8-15-14(17)11(3)18-13-6-4-12(9-16)5-7-13/h4-7,9-11H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide?
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).