2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide

C15H24N2O3 — CID 63367423

IUPAC2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc([C@H](C)N)c1
InChIInChI=1S/C15H24N2O3/c1-11(16)13-6-4-7-14(10-13)20-12(2)15(18)17-8-5-9-19-3/h4,6-7,10-12H,5,8-9,16H2,1-3H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyKWRKCGBRLGZXAU-PXYINDEMSA-N
MW280.37 g/mol
LogP1.63
Rot. Bonds8

About 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 63367423) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID63367423
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cccc([C@H](C)N)c1
InChIInChI=1S/C15H24N2O3/c1-11(16)13-6-4-7-14(10-13)20-12(2)15(18)17-8-5-9-19-3/h4,6-7,10-12H,5,8-9,16H2,1-3H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyKWRKCGBRLGZXAU-PXYINDEMSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.63
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

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide (CID 63367423) is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cccc([C@H](C)N)c1.
What is the InChIKey of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is KWRKCGBRLGZXAU-PXYINDEMSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(16)13-6-4-7-14(10-13)20-12(2)15(18)17-8-5-9-19-3/h4,6-7,10-12H,5,8-9,16H2,1-3H3,(H,17,18)/t11-,12?/m0/s1.
What are the key properties of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide?
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63367423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).