ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate

C15H23NO3 — CID 60676948

IUPACethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)11-16(4)6-7-19-14-9-12(2)8-13(3)10-14/h8-10H,5-7,11H2,1-4H3
InChIKeyJBILJRBFSXNAGQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds7

About ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate

ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate (PubChem CID 60676948) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
PubChem CID60676948
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)11-16(4)6-7-19-14-9-12(2)8-13(3)10-14/h8-10H,5-7,11H2,1-4H3
InChIKeyJBILJRBFSXNAGQ-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
ethyl 2-[methyl-[2-(3-nitrophenoxy)ethyl]amino]acetate
CID 60611207
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
methyl 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60682012
3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide
CID 55429915
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate (CID 60676948) is ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate is CCOC(=O)CN(C)CCOc1cc(C)cc(C)c1.
What is the InChIKey of ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate?
The InChIKey is JBILJRBFSXNAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-15(17)11-16(4)6-7-19-14-9-12(2)8-13(3)10-14/h8-10H,5-7,11H2,1-4H3.
What are the key properties of ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate?
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate is sourced from PubChem (CID 60676948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).