ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate

C18H27NO5 — CID 95980819

IUPACethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
SMILESCCOC(=O)[C@@](C)(NC(=O)Cc1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C18H27NO5/c1-7-24-17(21)18(4,12(2)3)19-16(20)11-13-8-9-14(22-5)15(10-13)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,20)/t18-/m0/s1
InChIKeySFIJVSXNJCAEQQ-SFHVURJKSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds8

About ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate

ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate (PubChem CID 95980819) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
PubChem CID95980819
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
SMILESCCOC(=O)[C@@](C)(NC(=O)Cc1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C18H27NO5/c1-7-24-17(21)18(4,12(2)3)19-16(20)11-13-8-9-14(22-5)15(10-13)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,20)/t18-/m0/s1
InChIKeySFIJVSXNJCAEQQ-SFHVURJKSA-N
XLogP2.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate 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 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973824
2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62517073
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide
CID 97356874
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
CID 61055069
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate?
The IUPAC name of ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate (CID 95980819) is ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate.
What is the SMILES notation for ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate?
The canonical SMILES for ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate is CCOC(=O)[C@@](C)(NC(=O)Cc1ccc(OC)c(OC)c1)C(C)C.
What is the InChIKey of ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate?
The InChIKey is SFIJVSXNJCAEQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO5/c1-7-24-17(21)18(4,12(2)3)19-16(20)11-13-8-9-14(22-5)15(10-13)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,20)/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate?
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate has a molecular weight of 337.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate is sourced from PubChem (CID 95980819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).