2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide

C13H18N2O3 — CID 79794063

IUPAC2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(C=O)nc1
InChIInChI=1S/C13H18N2O3/c1-9(2)10(3)15-13(17)8-18-12-5-4-11(7-16)14-6-12/h4-7,9-10H,8H2,1-3H3,(H,15,17)
InChIKeySTBPINZHANOFBB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds6

About 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide

2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 79794063) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID79794063
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(C=O)nc1
InChIInChI=1S/C13H18N2O3/c1-9(2)10(3)15-13(17)8-18-12-5-4-11(7-16)14-6-12/h4-7,9-10H,8H2,1-3H3,(H,15,17)
InChIKeySTBPINZHANOFBB-UHFFFAOYSA-N
XLogP1.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.43
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

N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79793955
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
methyl 3-[(6-formyl-3-pyridinyl)oxy]-2,2-dimethylpropanoate
CID 79794322
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720

Frequently Asked Questions

What is the IUPAC name of 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide (CID 79794063) is 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc(C=O)nc1.
What is the InChIKey of 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is STBPINZHANOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)10(3)15-13(17)8-18-12-5-4-11(7-16)14-6-12/h4-7,9-10H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide?
2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79794063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).