ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate

C14H19NO4 — CID 54785206

IUPACethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)COc1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-4-18-14(17)9-15(3)13(16)10-19-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyBYFBCDSZILYCNR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds6

About ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate

ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate (PubChem CID 54785206) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
PubChem CID54785206
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)COc1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-4-18-14(17)9-15(3)13(16)10-19-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyBYFBCDSZILYCNR-UHFFFAOYSA-N
XLogP1.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 112790388
propyl 2-(3-methylphenoxy)acetate
CID 78907736
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
1-(3-methylphenoxy)butan-2-one
CID 19100291
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate (CID 54785206) is ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)COc1cccc(C)c1.
What is the InChIKey of ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate?
The InChIKey is BYFBCDSZILYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-14(17)9-15(3)13(16)10-19-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate?
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 54785206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).