methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate

C16H23NO4 — CID 61383505

IUPACmethyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCOc1ccc(C)c(C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(11-16(19)20-4)15(18)8-9-21-14-7-6-12(2)13(3)10-14/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeySLLRPXHJRIMUIB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds7

About methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate

methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate (PubChem CID 61383505) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
PubChem CID61383505
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCOc1ccc(C)c(C)c1
InChIInChI=1S/C16H23NO4/c1-5-17(11-16(19)20-4)15(18)8-9-21-14-7-6-12(2)13(3)10-14/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeySLLRPXHJRIMUIB-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

methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
2-(3,4-dimethylphenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 78760333
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate?
The IUPAC name of methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate (CID 61383505) is methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate.
What is the SMILES notation for methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate?
The canonical SMILES for methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate is CCN(CC(=O)OC)C(=O)CCOc1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate?
The InChIKey is SLLRPXHJRIMUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-17(11-16(19)20-4)15(18)8-9-21-14-7-6-12(2)13(3)10-14/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate?
methyl 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate 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 2-[3-(3,4-dimethylphenoxy)propanoyl-ethylamino]acetate is sourced from PubChem (CID 61383505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).