ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate

C19H29NO3 — CID 19975275

IUPACethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
SMILESCCOC(=O)C(C)(NC(=O)Cc1ccc(C)cc1C)C(C)CC
InChIInChI=1S/C19H29NO3/c1-7-15(5)19(6,18(22)23-8-2)20-17(21)12-16-10-9-13(3)11-14(16)4/h9-11,15H,7-8,12H2,1-6H3,(H,20,21)
InChIKeyXLOOCPUCRDTWFG-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.33
Rot. Bonds7

About ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate

ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate (PubChem CID 19975275) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
PubChem CID19975275
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nameethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
SMILESCCOC(=O)C(C)(NC(=O)Cc1ccc(C)cc1C)C(C)CC
InChIInChI=1S/C19H29NO3/c1-7-15(5)19(6,18(22)23-8-2)20-17(21)12-16-10-9-13(3)11-14(16)4/h9-11,15H,7-8,12H2,1-6H3,(H,20,21)
InChIKeyXLOOCPUCRDTWFG-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
CID 174336215
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate?
The IUPAC name of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate (CID 19975275) is ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate?
The canonical SMILES for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate is CCOC(=O)C(C)(NC(=O)Cc1ccc(C)cc1C)C(C)CC.
What is the InChIKey of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate?
The InChIKey is XLOOCPUCRDTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-7-15(5)19(6,18(22)23-8-2)20-17(21)12-16-10-9-13(3)11-14(16)4/h9-11,15H,7-8,12H2,1-6H3,(H,20,21).
What are the key properties of ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate?
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate has a molecular weight of 319.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate is sourced from PubChem (CID 19975275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).