N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

C20H21NO5 — CID 7960522

IUPACN-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C20H21NO5/c1-3-10-25-18-9-6-16(12-22)19(11-18)26-13-20(24)21-17-7-4-15(5-8-17)14(2)23/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,24)
InChIKeyJERQTFBDGHMBEV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.51
Rot. Bonds9

About N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (PubChem CID 7960522) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
PubChem CID7960522
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C20H21NO5/c1-3-10-25-18-9-6-16(12-22)19(11-18)26-13-20(24)21-17-7-4-15(5-8-17)14(2)23/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,24)
InChIKeyJERQTFBDGHMBEV-UHFFFAOYSA-N
XLogP3.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
methyl 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7960405
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (CID 7960522) is N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is CCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The InChIKey is JERQTFBDGHMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-10-25-18-9-6-16(12-22)19(11-18)26-13-20(24)21-17-7-4-15(5-8-17)14(2)23/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is sourced from PubChem (CID 7960522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).