ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate

C17H25NO4 — CID 171703945

IUPACethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
SMILESCCOC(=O)C(NC(=O)COc1ccccc1CC)C(C)C
InChIInChI=1S/C17H25NO4/c1-5-13-9-7-8-10-14(13)22-11-15(19)18-16(12(3)4)17(20)21-6-2/h7-10,12,16H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyDGIZFHHLILBDJB-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.33
Rot. Bonds8

About ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate

ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate (PubChem CID 171703945) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
PubChem CID171703945
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
SMILESCCOC(=O)C(NC(=O)COc1ccccc1CC)C(C)C
InChIInChI=1S/C17H25NO4/c1-5-13-9-7-8-10-14(13)22-11-15(19)18-16(12(3)4)17(20)21-6-2/h7-10,12,16H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyDGIZFHHLILBDJB-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate 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

N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
methyl (2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-3-methylbutanoate
CID 55943159
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108574553
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate?
The IUPAC name of ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate (CID 171703945) is ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate is CCOC(=O)C(NC(=O)COc1ccccc1CC)C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate?
The InChIKey is DGIZFHHLILBDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-13-9-7-8-10-14(13)22-11-15(19)18-16(12(3)4)17(20)21-6-2/h7-10,12,16H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate?
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate has a molecular weight of 307.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 171703945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).