N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide

C16H28N2O2 — CID 2174470

IUPACN'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H28N2O2/c1-5-11-17-14(19)15(20)18-13-9-7-12(8-10-13)16(3,4)6-2/h5,12-13H,1,6-11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyAUNYLNVZDYKSBM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.40
Rot. Bonds5

About N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide

N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide (PubChem CID 2174470) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide
PubChem CID2174470
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C16H28N2O2/c1-5-11-17-14(19)15(20)18-13-9-7-12(8-10-13)16(3,4)6-2/h5,12-13H,1,6-11H2,2-4H3,(H,17,19)(H,18,20)
InChIKeyAUNYLNVZDYKSBM-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide 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 N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide (CID 2174470) is N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide?
The InChIKey is AUNYLNVZDYKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-11-17-14(19)15(20)18-13-9-7-12(8-10-13)16(3,4)6-2/h5,12-13H,1,6-11H2,2-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide?
N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide has a molecular weight of 280.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylbutan-2-yl)cyclohexyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 2174470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).