ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate

C16H28N2O3 — CID 62011450

IUPACethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-21-16(20)10-12-18(2)13-15(19)17-11-9-14-7-5-4-6-8-14/h7H,3-6,8-13H2,1-2H3,(H,17,19)
InChIKeyJKIJBNQPZJOJEI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.88
Rot. Bonds9

About ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate

ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 62011450) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
PubChem CID62011450
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-21-16(20)10-12-18(2)13-15(19)17-11-9-14-7-5-4-6-8-14/h7H,3-6,8-13H2,1-2H3,(H,17,19)
InChIKeyJKIJBNQPZJOJEI-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate 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 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylacetate
CID 78760493
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
ethyl 4-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111208241
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613603
N-[2-(cyclopenten-1-yl)ethyl]-2-ethoxyacetamide
CID 103842215
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635191
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate (CID 62011450) is ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate is CCOC(=O)CCN(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is JKIJBNQPZJOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-21-16(20)10-12-18(2)13-15(19)17-11-9-14-7-5-4-6-8-14/h7H,3-6,8-13H2,1-2H3,(H,17,19).
What are the key properties of ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate?
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 296.41 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62011450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).