ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate

C20H36N2O5 — CID 164604135

IUPACethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C20H36N2O5/c1-6-26-19(25)20(4,5)13-21-18(24)17(22-15(3)23)14(2)27-12-16-10-8-7-9-11-16/h14,16-17H,6-13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyRVGATJQJQGUCNM-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.18
Rot. Bonds10

About ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate

ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate (PubChem CID 164604135) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate
PubChem CID164604135
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Nameethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)CNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C20H36N2O5/c1-6-26-19(25)20(4,5)13-21-18(24)17(22-15(3)23)14(2)27-12-16-10-8-7-9-11-16/h14,16-17H,6-13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyRVGATJQJQGUCNM-UHFFFAOYSA-N
XLogP2.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate (CID 164604135) is ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)CNC(=O)C(NC(C)=O)C(C)OCC1CCCCC1.
What is the InChIKey of ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate?
The InChIKey is RVGATJQJQGUCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-6-26-19(25)20(4,5)13-21-18(24)17(22-15(3)23)14(2)27-12-16-10-8-7-9-11-16/h14,16-17H,6-13H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate?
ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate has a molecular weight of 384.52 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 164604135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).