N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide

C13H17NO4 — CID 82156296

IUPACN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C=O)ccc1OC(C)C
InChIInChI=1S/C13H17NO4/c1-9(2)18-12-5-4-10(7-15)6-11(12)14-13(16)8-17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyIGZDQPXATFQOLH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.87
Rot. Bonds6

About N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide

N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide (PubChem CID 82156296) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide
PubChem CID82156296
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C=O)ccc1OC(C)C
InChIInChI=1S/C13H17NO4/c1-9(2)18-12-5-4-10(7-15)6-11(12)14-13(16)8-17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyIGZDQPXATFQOLH-UHFFFAOYSA-N
XLogP1.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.87
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-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide
CID 82156297
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
CID 94763058
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
CID 82156208
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-(2-ethoxy-5-formylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 82156185
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
2-amino-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 83629960
N-(5-formyl-2-propan-2-yloxyphenyl)benzenesulfonamide
CID 94763177

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide (CID 82156296) is N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(C=O)ccc1OC(C)C.
What is the InChIKey of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide?
The InChIKey is IGZDQPXATFQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(2)18-12-5-4-10(7-15)6-11(12)14-13(16)8-17-3/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide?
N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide has a molecular weight of 251.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 82156296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).