methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate

C17H25NO3 — CID 19975296

IUPACmethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)Cc1ccc(C)cc1C)C(=O)OC
InChIInChI=1S/C17H25NO3/c1-6-17(7-2,16(20)21-5)18-15(19)11-14-9-8-12(3)10-13(14)4/h8-10H,6-7,11H2,1-5H3,(H,18,19)
InChIKeyXZPCDXKCOQXDNX-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.69
Rot. Bonds6

About methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate

methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate (PubChem CID 19975296) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
PubChem CID19975296
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)Cc1ccc(C)cc1C)C(=O)OC
InChIInChI=1S/C17H25NO3/c1-6-17(7-2,16(20)21-5)18-15(19)11-14-9-8-12(3)10-13(14)4/h8-10H,6-7,11H2,1-5H3,(H,18,19)
InChIKeyXZPCDXKCOQXDNX-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
CID 19975275
methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 100627144
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate (CID 19975296) is methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate is CCC(CC)(NC(=O)Cc1ccc(C)cc1C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate?
The InChIKey is XZPCDXKCOQXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-17(7-2,16(20)21-5)18-15(19)11-14-9-8-12(3)10-13(14)4/h8-10H,6-7,11H2,1-5H3,(H,18,19).
What are the key properties of methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate?
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate has a molecular weight of 291.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 19975296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).