N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

C23H29NO4 — CID 8009706

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29NO4/c1-6-27-21-12-17(13-25)10-11-20(21)28-14-22(26)24-23-18(15(2)3)8-7-9-19(23)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,26)
InChIKeyIEAGUTKOMBMWHL-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.16
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide (PubChem CID 8009706) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
PubChem CID8009706
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29NO4/c1-6-27-21-12-17(13-25)10-11-20(21)28-14-22(26)24-23-18(15(2)3)8-7-9-19(23)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,26)
InChIKeyIEAGUTKOMBMWHL-UHFFFAOYSA-N
XLogP5.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.16
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-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-[2,6-di(propan-2-yl)phenyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696232
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753574
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide (CID 8009706) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is IEAGUTKOMBMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-27-21-12-17(13-25)10-11-20(21)28-14-22(26)24-23-18(15(2)3)8-7-9-19(23)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,24,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 383.49 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 8009706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).