N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide

C21H25NO3 — CID 7762730

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C=O
InChIInChI=1S/C21H25NO3/c1-14(2)17-9-7-10-18(15(3)4)21(17)22-20(24)13-25-19-11-6-5-8-16(19)12-23/h5-12,14-15H,13H2,1-4H3,(H,22,24)
InChIKeyCDQRVYBOFYLCFM-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.76
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide (PubChem CID 7762730) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
PubChem CID7762730
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C=O
InChIInChI=1S/C21H25NO3/c1-14(2)17-9-7-10-18(15(3)4)21(17)22-20(24)13-25-19-11-6-5-8-16(19)12-23/h5-12,14-15H,13H2,1-4H3,(H,22,24)
InChIKeyCDQRVYBOFYLCFM-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.76
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

2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009706
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
N-[2,6-di(propan-2-yl)phenyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696232
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide (CID 7762730) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C=O.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is CDQRVYBOFYLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(2)17-9-7-10-18(15(3)4)21(17)22-20(24)13-25-19-11-6-5-8-16(19)12-23/h5-12,14-15H,13H2,1-4H3,(H,22,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7762730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).