3-(2-ethoxy-4-formylphenoxy)butanamide

C13H17NO4 — CID 123605101

IUPAC3-(2-ethoxy-4-formylphenoxy)butanamide
SMILESCCOc1cc(C=O)ccc1OC(C)CC(N)=O
InChIInChI=1S/C13H17NO4/c1-3-17-12-7-10(8-15)4-5-11(12)18-9(2)6-13(14)16/h4-5,7-9H,3,6H2,1-2H3,(H2,14,16)
InChIKeyXPRNBFSAAIHGKO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.54
Rot. Bonds7

About 3-(2-ethoxy-4-formylphenoxy)butanamide

3-(2-ethoxy-4-formylphenoxy)butanamide (PubChem CID 123605101) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2-ethoxy-4-formylphenoxy)butanamide.

Molecular Properties

Compound Name3-(2-ethoxy-4-formylphenoxy)butanamide
PubChem CID123605101
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-(2-ethoxy-4-formylphenoxy)butanamide
SMILESCCOc1cc(C=O)ccc1OC(C)CC(N)=O
InChIInChI=1S/C13H17NO4/c1-3-17-12-7-10(8-15)4-5-11(12)18-9(2)6-13(14)16/h4-5,7-9H,3,6H2,1-2H3,(H2,14,16)
InChIKeyXPRNBFSAAIHGKO-UHFFFAOYSA-N
XLogP1.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.54
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)butanoic acid
CID 64662356
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
3-(2-ethoxy-6-formylphenoxy)butanamide
CID 123750049
3-ethoxy-4-(4-pyrrolidin-1-ylbutan-2-yloxy)benzaldehyde
CID 82037895
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-formylphenoxy)butanamide?
The IUPAC name of 3-(2-ethoxy-4-formylphenoxy)butanamide (CID 123605101) is 3-(2-ethoxy-4-formylphenoxy)butanamide.
What is the SMILES notation for 3-(2-ethoxy-4-formylphenoxy)butanamide?
The canonical SMILES for 3-(2-ethoxy-4-formylphenoxy)butanamide is CCOc1cc(C=O)ccc1OC(C)CC(N)=O.
What is the InChIKey of 3-(2-ethoxy-4-formylphenoxy)butanamide?
The InChIKey is XPRNBFSAAIHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-12-7-10(8-15)4-5-11(12)18-9(2)6-13(14)16/h4-5,7-9H,3,6H2,1-2H3,(H2,14,16).
What are the key properties of 3-(2-ethoxy-4-formylphenoxy)butanamide?
3-(2-ethoxy-4-formylphenoxy)butanamide has a molecular weight of 251.28 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-formylphenoxy)butanamide is sourced from PubChem (CID 123605101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).