methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate

C16H23NO4 — CID 61243938

IUPACmethyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C16H23NO4/c1-12-5-6-13(2)14(11-12)21-10-8-15(18)17(3)9-7-16(19)20-4/h5-6,11H,7-10H2,1-4H3
InChIKeyLZPGGKJUBLWTKL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds7

About methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate

methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate (PubChem CID 61243938) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
PubChem CID61243938
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C16H23NO4/c1-12-5-6-13(2)14(11-12)21-10-8-15(18)17(3)9-7-16(19)20-4/h5-6,11H,7-10H2,1-4H3
InChIKeyLZPGGKJUBLWTKL-UHFFFAOYSA-N
XLogP2.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
3-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]propanoic acid
CID 60988844
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920
methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate (CID 61243938) is methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate is COC(=O)CCN(C)C(=O)CCOc1cc(C)ccc1C.
What is the InChIKey of methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate?
The InChIKey is LZPGGKJUBLWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-5-6-13(2)14(11-12)21-10-8-15(18)17(3)9-7-16(19)20-4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate?
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate is sourced from PubChem (CID 61243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).