2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide

C13H19NO4 — CID 43326339

IUPAC2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc(O)c1
InChIInChI=1S/C13H19NO4/c1-10(13(16)14-7-4-8-17-2)18-12-6-3-5-11(15)9-12/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyYNOGSRXTLADRFE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.31
Rot. Bonds7

About 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide

2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 43326339) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID43326339
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc(O)c1
InChIInChI=1S/C13H19NO4/c1-10(13(16)14-7-4-8-17-2)18-12-6-3-5-11(15)9-12/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyYNOGSRXTLADRFE-UHFFFAOYSA-N
XLogP1.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
2-(3-hydroxy-5-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 107679972
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methoxypropyl)propanamide
CID 107684834

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide (CID 43326339) is 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is YNOGSRXTLADRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(13(16)14-7-4-8-17-2)18-12-6-3-5-11(15)9-12/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide?
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43326339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).