methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate

C15H21NO4 — CID 61383302

IUPACmethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1cc(C)ccc1C
InChIInChI=1S/C15H21NO4/c1-5-16(9-15(18)19-4)14(17)10-20-13-8-11(2)6-7-12(13)3/h6-8H,5,9-10H2,1-4H3
InChIKeyREVBNIJPCPJITA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate

methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate (PubChem CID 61383302) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
PubChem CID61383302
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1cc(C)ccc1C
InChIInChI=1S/C15H21NO4/c1-5-16(9-15(18)19-4)14(17)10-20-13-8-11(2)6-7-12(13)3/h6-8H,5,9-10H2,1-4H3
InChIKeyREVBNIJPCPJITA-UHFFFAOYSA-N
XLogP1.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18157857
2-[(2-amino-2-oxoethyl)-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 107434278
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide
CID 5208204
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 51193404
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 86997222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate (CID 61383302) is methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)COc1cc(C)ccc1C.
What is the InChIKey of methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate?
The InChIKey is REVBNIJPCPJITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-16(9-15(18)19-4)14(17)10-20-13-8-11(2)6-7-12(13)3/h6-8H,5,9-10H2,1-4H3.
What are the key properties of methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate?
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate is sourced from PubChem (CID 61383302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).