N,N'-bis(2-hydroxybutyl)oxamide

C10H20N2O4 — CID 90928565

IUPACN,N'-bis(2-hydroxybutyl)oxamide
SMILESCCC(O)CNC(=O)C(=O)NCC(O)CC
InChIInChI=1S/C10H20N2O4/c1-3-7(13)5-11-9(15)10(16)12-6-8(14)4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyGMPPBIOZUFJNTL-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.24
Rot. Bonds6

About N,N'-bis(2-hydroxybutyl)oxamide

N,N'-bis(2-hydroxybutyl)oxamide (PubChem CID 90928565) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N,N'-bis(2-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxybutyl)oxamide
PubChem CID90928565
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN,N'-bis(2-hydroxybutyl)oxamide
SMILESCCC(O)CNC(=O)C(=O)NCC(O)CC
InChIInChI=1S/C10H20N2O4/c1-3-7(13)5-11-9(15)10(16)12-6-8(14)4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyGMPPBIOZUFJNTL-UHFFFAOYSA-N
XLogP-1.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-bis(2-hydroxybutyl)oxamide?
The IUPAC name of N,N'-bis(2-hydroxybutyl)oxamide (CID 90928565) is N,N'-bis(2-hydroxybutyl)oxamide.
What is the SMILES notation for N,N'-bis(2-hydroxybutyl)oxamide?
The canonical SMILES for N,N'-bis(2-hydroxybutyl)oxamide is CCC(O)CNC(=O)C(=O)NCC(O)CC.
What is the InChIKey of N,N'-bis(2-hydroxybutyl)oxamide?
The InChIKey is GMPPBIOZUFJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-7(13)5-11-9(15)10(16)12-6-8(14)4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N,N'-bis(2-hydroxybutyl)oxamide?
N,N'-bis(2-hydroxybutyl)oxamide has a molecular weight of 232.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxybutyl)oxamide is sourced from PubChem (CID 90928565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).