N'-cycloheptyl-N-prop-2-enyloxamide

C12H20N2O2 — CID 2289583

IUPACN'-cycloheptyl-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-9-13-11(15)12(16)14-10-7-5-3-4-6-8-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16)
InChIKeyDEEINFVXEHBKSG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.13
Rot. Bonds3

About N'-cycloheptyl-N-prop-2-enyloxamide

N'-cycloheptyl-N-prop-2-enyloxamide (PubChem CID 2289583) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-cycloheptyl-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-prop-2-enyloxamide
PubChem CID2289583
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-cycloheptyl-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-9-13-11(15)12(16)14-10-7-5-3-4-6-8-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16)
InChIKeyDEEINFVXEHBKSG-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-prop-2-enyloxamide?
The IUPAC name of N'-cycloheptyl-N-prop-2-enyloxamide (CID 2289583) is N'-cycloheptyl-N-prop-2-enyloxamide.
What is the SMILES notation for N'-cycloheptyl-N-prop-2-enyloxamide?
The canonical SMILES for N'-cycloheptyl-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-prop-2-enyloxamide?
The InChIKey is DEEINFVXEHBKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-9-13-11(15)12(16)14-10-7-5-3-4-6-8-10/h2,10H,1,3-9H2,(H,13,15)(H,14,16).
What are the key properties of N'-cycloheptyl-N-prop-2-enyloxamide?
N'-cycloheptyl-N-prop-2-enyloxamide has a molecular weight of 224.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-prop-2-enyloxamide is sourced from PubChem (CID 2289583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).