2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide

C15H21NO5 — CID 43112242

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(C=O)cc1OC
InChIInChI=1S/C15H21NO5/c1-11(15(18)16-7-4-8-19-2)21-13-6-5-12(10-17)9-14(13)20-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyQCWBFMFPEHBSGG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.43
Rot. Bonds9

About 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide

2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 43112242) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID43112242
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(C=O)cc1OC
InChIInChI=1S/C15H21NO5/c1-11(15(18)16-7-4-8-19-2)21-13-6-5-12(10-17)9-14(13)20-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyQCWBFMFPEHBSGG-UHFFFAOYSA-N
XLogP1.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide
CID 60718482
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide (CID 43112242) is 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccc(C=O)cc1OC.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is QCWBFMFPEHBSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(15(18)16-7-4-8-19-2)21-13-6-5-12(10-17)9-14(13)20-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide?
2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43112242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).