2-(butylamino)ethyl 2-(4-methylphenoxy)acetate

C15H23NO3 — CID 82532372

IUPAC2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
SMILESCCCCNCCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-3-4-9-16-10-11-18-15(17)12-19-14-7-5-13(2)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyYAOPDTXYNJQYCA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds9

About 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate

2-(butylamino)ethyl 2-(4-methylphenoxy)acetate (PubChem CID 82532372) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
PubChem CID82532372
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(butylamino)ethyl 2-(4-methylphenoxy)acetate
SMILESCCCCNCCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H23NO3/c1-3-4-9-16-10-11-18-15(17)12-19-14-7-5-13(2)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyYAOPDTXYNJQYCA-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869793
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
butyl 2-[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]acetate
CID 159281133
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
N-[2-(4-methylsulfonylphenoxy)ethyl]butan-1-amine
CID 62584720
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
2-(4-butoxyphenoxy)acetamide
CID 22974475

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate?
The IUPAC name of 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate (CID 82532372) is 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate is CCCCNCCOC(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate?
The InChIKey is YAOPDTXYNJQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-9-16-10-11-18-15(17)12-19-14-7-5-13(2)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate?
2-(butylamino)ethyl 2-(4-methylphenoxy)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 82532372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).