N,N'-di(butan-2-yl)oxamide

C10H20N2O2 — CID 3136336

IUPACN,N'-di(butan-2-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)NC(C)CC
InChIInChI=1S/C10H20N2O2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyGNIZLHCZGWGWHI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds4

About N,N'-di(butan-2-yl)oxamide

N,N'-di(butan-2-yl)oxamide (PubChem CID 3136336) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N,N'-di(butan-2-yl)oxamide.

Molecular Properties

Compound NameN,N'-di(butan-2-yl)oxamide
PubChem CID3136336
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN,N'-di(butan-2-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)NC(C)CC
InChIInChI=1S/C10H20N2O2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyGNIZLHCZGWGWHI-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
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,N'-di(butan-2-yl)oxamide?
The IUPAC name of N,N'-di(butan-2-yl)oxamide (CID 3136336) is N,N'-di(butan-2-yl)oxamide.
What is the SMILES notation for N,N'-di(butan-2-yl)oxamide?
The canonical SMILES for N,N'-di(butan-2-yl)oxamide is CCC(C)NC(=O)C(=O)NC(C)CC.
What is the InChIKey of N,N'-di(butan-2-yl)oxamide?
The InChIKey is GNIZLHCZGWGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-di(butan-2-yl)oxamide?
N,N'-di(butan-2-yl)oxamide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(butan-2-yl)oxamide is sourced from PubChem (CID 3136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).