N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C17H32N2O2 — CID 108526259

IUPACN-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)12-17(4,5)19-15(21)14(20)18-13-10-8-6-7-9-11-13/h13H,6-12H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyJIDSKDWVZAEHDH-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.16
Rot. Bonds3

About N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526259) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526259
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)12-17(4,5)19-15(21)14(20)18-13-10-8-6-7-9-11-13/h13H,6-12H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyJIDSKDWVZAEHDH-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.16
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'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526259) is N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is JIDSKDWVZAEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)12-17(4,5)19-15(21)14(20)18-13-10-8-6-7-9-11-13/h13H,6-12H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 296.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).