N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide

C14H19NO4 — CID 43388307

IUPACN-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)NCC)c1
InChIInChI=1S/C14H19NO4/c1-3-7-18-12-6-5-11(9-16)13(8-12)19-10-14(17)15-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyQZYNTILUFMODGP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds8

About N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide

N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide (PubChem CID 43388307) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
PubChem CID43388307
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)NCC)c1
InChIInChI=1S/C14H19NO4/c1-3-7-18-12-6-5-11(9-16)13(8-12)19-10-14(17)15-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyQZYNTILUFMODGP-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
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-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960522
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
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
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
methyl 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7960405
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide?
The IUPAC name of N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide (CID 43388307) is N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide.
What is the SMILES notation for N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide?
The canonical SMILES for N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide is CCCOc1ccc(C=O)c(OCC(=O)NCC)c1.
What is the InChIKey of N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide?
The InChIKey is QZYNTILUFMODGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-7-18-12-6-5-11(9-16)13(8-12)19-10-14(17)15-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide?
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide is sourced from PubChem (CID 43388307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).