2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide

C15H24N2O4 — CID 82000074

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(OC)ccc1[C@H](C)N
InChIInChI=1S/C15H24N2O4/c1-10(8-19-3)17-15(18)9-21-14-7-12(20-4)5-6-13(14)11(2)16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyZEBHUHFUDLEDMD-DTIOYNMSSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds8

About 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 82000074) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID82000074
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(OC)ccc1[C@H](C)N
InChIInChI=1S/C15H24N2O4/c1-10(8-19-3)17-15(18)9-21-14-7-12(20-4)5-6-13(14)11(2)16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyZEBHUHFUDLEDMD-DTIOYNMSSA-N
XLogP1.24
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 78933161
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 82000074) is 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1cc(OC)ccc1[C@H](C)N.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ZEBHUHFUDLEDMD-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(8-19-3)17-15(18)9-21-14-7-12(20-4)5-6-13(14)11(2)16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 82000074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).