ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate

C15H21NO4 — CID 60812030

IUPACethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO4/c1-4-19-15(18)9-16-14(17)10-20-13-7-5-6-12(8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyIELBHAPDAVJLSU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds7

About ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate

ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate (PubChem CID 60812030) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
PubChem CID60812030
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO4/c1-4-19-15(18)9-16-14(17)10-20-13-7-5-6-12(8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyIELBHAPDAVJLSU-UHFFFAOYSA-N
XLogP1.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate (CID 60812030) is ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate is CCOC(=O)CNC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate?
The InChIKey is IELBHAPDAVJLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-19-15(18)9-16-14(17)10-20-13-7-5-6-12(8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate?
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 60812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).