N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide

C13H17NO4 — CID 61267753

IUPACN-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
SMILESCCNC(=O)C(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C13H17NO4/c1-4-14-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-15/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyWHFHXBCCAXNIPB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds6

About N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide

N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide (PubChem CID 61267753) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
PubChem CID61267753
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
SMILESCCNC(=O)C(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C13H17NO4/c1-4-14-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-15/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyWHFHXBCCAXNIPB-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
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-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
CID 43212710
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
methyl 2-(5-ethyl-2-formylphenoxy)propanoate
CID 54200069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide?
The IUPAC name of N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide (CID 61267753) is N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide.
What is the SMILES notation for N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide?
The canonical SMILES for N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide is CCNC(=O)C(C)Oc1cc(OC)ccc1C=O.
What is the InChIKey of N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide?
The InChIKey is WHFHXBCCAXNIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-14-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-15/h5-9H,4H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide?
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 6 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-methoxyphenoxy)propanamide is sourced from PubChem (CID 61267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).