N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide

C14H19NO4 — CID 8633812

IUPACN-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C14H19NO4/c1-4-10(2)15-14(17)9-19-13-6-5-12(18-3)7-11(13)8-16/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyPYKJRNISZMIYOH-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide

N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide (PubChem CID 8633812) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
PubChem CID8633812
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C14H19NO4/c1-4-10(2)15-14(17)9-19-13-6-5-12(18-3)7-11(13)8-16/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyPYKJRNISZMIYOH-SNVBAGLBSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
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

2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 40711295
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide (CID 8633812) is N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide is CC[C@@H](C)NC(=O)COc1ccc(OC)cc1C=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The InChIKey is PYKJRNISZMIYOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10(2)15-14(17)9-19-13-6-5-12(18-3)7-11(13)8-16/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 8633812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).