N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H17NO3 — CID 106912441

IUPACN-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-9-12(16)14-11-6-4-5-10(7-11)8-15/h4-8H,9H2,1-3H3,(H,14,16)
InChIKeyXSOQHKBTICSPIV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.25
Rot. Bonds4

About N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 106912441) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID106912441
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-9-12(16)14-11-6-4-5-10(7-11)8-15/h4-8H,9H2,1-3H3,(H,14,16)
InChIKeyXSOQHKBTICSPIV-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.25
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

N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-[3-[1-(methylamino)ethyl]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602422
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 106912441) is N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is XSOQHKBTICSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)17-9-12(16)14-11-6-4-5-10(7-11)8-15/h4-8H,9H2,1-3H3,(H,14,16).
What are the key properties of N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 235.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 106912441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).