ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate

C16H22N2O3 — CID 2899706

IUPACethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate
SMILESCCOC(=O)C(C(=O)Nc1ccccn1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14(12-8-4-3-5-9-12)15(19)18-13-10-6-7-11-17-13/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyOVMWZBLNHFYYHG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate

ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate (PubChem CID 2899706) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate
PubChem CID2899706
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate
SMILESCCOC(=O)C(C(=O)Nc1ccccn1)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)14(12-8-4-3-5-9-12)15(19)18-13-10-6-7-11-17-13/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,17,18,19)
InChIKeyOVMWZBLNHFYYHG-UHFFFAOYSA-N
XLogP2.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate 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 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate (CID 2899706) is ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate is CCOC(=O)C(C(=O)Nc1ccccn1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The InChIKey is OVMWZBLNHFYYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)14(12-8-4-3-5-9-12)15(19)18-13-10-6-7-11-17-13/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate has a molecular weight of 290.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-oxo-3-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 2899706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).