2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide

C15H24N2O2 — CID 55190440

IUPAC2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)10-19-14-7-6-11(2)9-13(14)12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyKIQJPUYECNEIJY-GFCCVEGCSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds7

About 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide

2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide (PubChem CID 55190440) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
PubChem CID55190440
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)10-19-14-7-6-11(2)9-13(14)12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyKIQJPUYECNEIJY-GFCCVEGCSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide (CID 55190440) is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(C)cc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide?
The InChIKey is KIQJPUYECNEIJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-8-17-15(18)10-19-14-7-6-11(2)9-13(14)12(3)16/h6-7,9,12H,4-5,8,10,16H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide?
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide is sourced from PubChem (CID 55190440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).