N-cycloheptyl-N'-propan-2-yloxamide

C12H22N2O2 — CID 2286863

IUPACN-cycloheptyl-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)13-11(15)12(16)14-10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBKYBMZUGMMPFNY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.35
Rot. Bonds2

About N-cycloheptyl-N'-propan-2-yloxamide

N-cycloheptyl-N'-propan-2-yloxamide (PubChem CID 2286863) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-cycloheptyl-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-propan-2-yloxamide
PubChem CID2286863
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-cycloheptyl-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)13-11(15)12(16)14-10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBKYBMZUGMMPFNY-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-propan-2-yloxamide?
The IUPAC name of N-cycloheptyl-N'-propan-2-yloxamide (CID 2286863) is N-cycloheptyl-N'-propan-2-yloxamide.
What is the SMILES notation for N-cycloheptyl-N'-propan-2-yloxamide?
The canonical SMILES for N-cycloheptyl-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-propan-2-yloxamide?
The InChIKey is BKYBMZUGMMPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)13-11(15)12(16)14-10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-cycloheptyl-N'-propan-2-yloxamide?
N-cycloheptyl-N'-propan-2-yloxamide has a molecular weight of 226.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-propan-2-yloxamide is sourced from PubChem (CID 2286863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).