2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

C15H24N2O2 — CID 63367621

IUPAC2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)12(4)17-15(18)9-19-14-7-5-13(6-8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyPGKSGZUTCDBUBQ-JHJMLUEUSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63367621) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63367621
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)12(4)17-15(18)9-19-14-7-5-13(6-8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyPGKSGZUTCDBUBQ-JHJMLUEUSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60623787
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 63367621) is 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc([C@@H](C)N)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PGKSGZUTCDBUBQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)12(4)17-15(18)9-19-14-7-5-13(6-8-14)11(3)16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)/t11-,12?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63367621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).