ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate

C15H21NO4 — CID 21426069

IUPACethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H21NO4/c1-5-19-13(17)10-16-14(18)15(3,4)20-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyLHTJANFRZFJTQP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate

ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate (PubChem CID 21426069) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate
PubChem CID21426069
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H21NO4/c1-5-19-13(17)10-16-14(18)15(3,4)20-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyLHTJANFRZFJTQP-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide
CID 100519658
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
CID 17314078
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
ethyl 2-methyl-2-[4-[2-[[2-methyl-2-(3-methylphenoxy)propanoyl]amino]ethyl]phenoxy]propanoate
CID 21322656
ethyl 2-[[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetate;hydrochloride
CID 131714055
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxopropanoate
CID 22308842
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
ethyl 2-methyl-2-[4-[4-[2-[(4-methylbenzoyl)amino]ethyl]phenyl]phenoxy]propanoate
CID 21451956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate (CID 21426069) is ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate is CCOC(=O)CNC(=O)C(C)(C)Oc1ccc(C)cc1.
What is the InChIKey of ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate?
The InChIKey is LHTJANFRZFJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-19-13(17)10-16-14(18)15(3,4)20-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate?
ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]acetate is sourced from PubChem (CID 21426069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).