ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate

C15H21NO3 — CID 62538862

IUPACethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H21NO3/c1-5-19-15(18)12(4)16-14(17)9-13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyQOKQEANOWHIRTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate

ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate (PubChem CID 62538862) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
PubChem CID62538862
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H21NO3/c1-5-19-15(18)12(4)16-14(17)9-13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyQOKQEANOWHIRTE-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
N-(1-aminopentan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 65191208
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
2-(2,5-dimethylphenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28570284
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
CID 19785916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate (CID 62538862) is ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate?
The InChIKey is QOKQEANOWHIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-19-15(18)12(4)16-14(17)9-13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate?
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 62538862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).