2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide

C15H24N2O3 — CID 78933161

IUPAC2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCC[C@H](N)c1ccccc1OCC(=O)NC(C)COC
InChIInChI=1S/C15H24N2O3/c1-4-13(16)12-7-5-6-8-14(12)20-10-15(18)17-11(2)9-19-3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,13-/m0/s1
InChIKeyQNJOLHGOBZDRHI-YUZLPWPTSA-N
MW280.37 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 78933161) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID78933161
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCC[C@H](N)c1ccccc1OCC(=O)NC(C)COC
InChIInChI=1S/C15H24N2O3/c1-4-13(16)12-7-5-6-8-14(12)20-10-15(18)17-11(2)9-19-3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,13-/m0/s1
InChIKeyQNJOLHGOBZDRHI-YUZLPWPTSA-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

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Related Compounds

2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 78933161) is 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide is CC[C@H](N)c1ccccc1OCC(=O)NC(C)COC.
What is the InChIKey of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is QNJOLHGOBZDRHI-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-13(16)12-7-5-6-8-14(12)20-10-15(18)17-11(2)9-19-3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,13-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide 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-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 78933161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).