2-(3-formylphenoxy)-N-pentan-3-ylacetamide

C14H19NO3 — CID 60624295

IUPAC2-(3-formylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(C=O)c1
InChIInChI=1S/C14H19NO3/c1-3-12(4-2)15-14(17)10-18-13-7-5-6-11(8-13)9-16/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyCJRYPADDYBHHCO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-formylphenoxy)-N-pentan-3-ylacetamide

2-(3-formylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 60624295) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-formylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)-N-pentan-3-ylacetamide
PubChem CID60624295
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-formylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(C=O)c1
InChIInChI=1S/C14H19NO3/c1-3-12(4-2)15-14(17)10-18-13-7-5-6-11(8-13)9-16/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)
InChIKeyCJRYPADDYBHHCO-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
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-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60624302
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
CID 29462813
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767310
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
N-(2-cyanoethyl)-2-(3-formylphenoxy)acetamide
CID 24700275
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-formylphenoxy)-N-pentan-3-ylacetamide (CID 60624295) is 2-(3-formylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-formylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-formylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is CJRYPADDYBHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-12(4-2)15-14(17)10-18-13-7-5-6-11(8-13)9-16/h5-9,12H,3-4,10H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-formylphenoxy)-N-pentan-3-ylacetamide?
2-(3-formylphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60624295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).