3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide

C14H19NO4 — CID 139329282

IUPAC3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
SMILESCOc1ccccc1OC(C)C(=O)C(=O)NC(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)15-14(17)13(16)10(3)19-12-8-6-5-7-11(12)18-4/h5-10H,1-4H3,(H,15,17)
InChIKeyXMLFYIUMJWVBRZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds6

About 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide

3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide (PubChem CID 139329282) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
PubChem CID139329282
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
SMILESCOc1ccccc1OC(C)C(=O)C(=O)NC(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)15-14(17)13(16)10(3)19-12-8-6-5-7-11(12)18-4/h5-10H,1-4H3,(H,15,17)
InChIKeyXMLFYIUMJWVBRZ-UHFFFAOYSA-N
XLogP1.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(2-methoxyphenoxy)-N-propan-2-ylbutanamide
CID 134349437
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide (CID 139329282) is 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide is COc1ccccc1OC(C)C(=O)C(=O)NC(C)C.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide?
The InChIKey is XMLFYIUMJWVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)15-14(17)13(16)10(3)19-12-8-6-5-7-11(12)18-4/h5-10H,1-4H3,(H,15,17).
What are the key properties of 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide?
3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide has a molecular weight of 265.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 139329282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).