3-(2-formyl-5-methoxyphenoxy)propanamide

C11H13NO4 — CID 61268492

IUPAC3-(2-formyl-5-methoxyphenoxy)propanamide
SMILESCOc1ccc(C=O)c(OCCC(N)=O)c1
InChIInChI=1S/C11H13NO4/c1-15-9-3-2-8(7-13)10(6-9)16-5-4-11(12)14/h2-3,6-7H,4-5H2,1H3,(H2,12,14)
InChIKeyLQMUQRICSVUTDV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.76
Rot. Bonds6

About 3-(2-formyl-5-methoxyphenoxy)propanamide

3-(2-formyl-5-methoxyphenoxy)propanamide (PubChem CID 61268492) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-formyl-5-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name3-(2-formyl-5-methoxyphenoxy)propanamide
PubChem CID61268492
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-(2-formyl-5-methoxyphenoxy)propanamide
SMILESCOc1ccc(C=O)c(OCCC(N)=O)c1
InChIInChI=1S/C11H13NO4/c1-15-9-3-2-8(7-13)10(6-9)16-5-4-11(12)14/h2-3,6-7H,4-5H2,1H3,(H2,12,14)
InChIKeyLQMUQRICSVUTDV-UHFFFAOYSA-N
XLogP0.76
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.76
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

ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286

Frequently Asked Questions

What is the IUPAC name of 3-(2-formyl-5-methoxyphenoxy)propanamide?
The IUPAC name of 3-(2-formyl-5-methoxyphenoxy)propanamide (CID 61268492) is 3-(2-formyl-5-methoxyphenoxy)propanamide.
What is the SMILES notation for 3-(2-formyl-5-methoxyphenoxy)propanamide?
The canonical SMILES for 3-(2-formyl-5-methoxyphenoxy)propanamide is COc1ccc(C=O)c(OCCC(N)=O)c1.
What is the InChIKey of 3-(2-formyl-5-methoxyphenoxy)propanamide?
The InChIKey is LQMUQRICSVUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-3-2-8(7-13)10(6-9)16-5-4-11(12)14/h2-3,6-7H,4-5H2,1H3,(H2,12,14).
What are the key properties of 3-(2-formyl-5-methoxyphenoxy)propanamide?
3-(2-formyl-5-methoxyphenoxy)propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formyl-5-methoxyphenoxy)propanamide is sourced from PubChem (CID 61268492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).