2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide

C15H24N2O3 — CID 60904827

IUPAC2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc(CCN)c1
InChIInChI=1S/C15H24N2O3/c1-12(15(18)17-9-4-10-19-2)20-14-6-3-5-13(11-14)7-8-16/h3,5-6,11-12H,4,7-10,16H2,1-2H3,(H,17,18)
InChIKeyLOKCFPOAWPMTAU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.11
Rot. Bonds9

About 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide

2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 60904827) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID60904827
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc(CCN)c1
InChIInChI=1S/C15H24N2O3/c1-12(15(18)17-9-4-10-19-2)20-14-6-3-5-13(11-14)7-8-16/h3,5-6,11-12H,4,7-10,16H2,1-2H3,(H,17,18)
InChIKeyLOKCFPOAWPMTAU-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.11
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-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide (CID 60904827) is 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is LOKCFPOAWPMTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(15(18)17-9-4-10-19-2)20-14-6-3-5-13(11-14)7-8-16/h3,5-6,11-12H,4,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide?
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60904827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).