N,N'-bis(3-hydroxypropyl)oxamide

C8H16N2O4 — CID 2106430

IUPACN,N'-bis(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCCCO
InChIInChI=1S/C8H16N2O4/c11-5-1-3-9-7(13)8(14)10-4-2-6-12/h11-12H,1-6H2,(H,9,13)(H,10,14)
InChIKeyJPCJYZZUEISJGO-UHFFFAOYSA-N
MW204.23 g/mol
LogP-2.02
Rot. Bonds6

About N,N'-bis(3-hydroxypropyl)oxamide

N,N'-bis(3-hydroxypropyl)oxamide (PubChem CID 2106430) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is N,N'-bis(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(3-hydroxypropyl)oxamide
PubChem CID2106430
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC NameN,N'-bis(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NCCCO
InChIInChI=1S/C8H16N2O4/c11-5-1-3-9-7(13)8(14)10-4-2-6-12/h11-12H,1-6H2,(H,9,13)(H,10,14)
InChIKeyJPCJYZZUEISJGO-UHFFFAOYSA-N
XLogP-2.02
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-hydroxypropyl)oxamide?
The IUPAC name of N,N'-bis(3-hydroxypropyl)oxamide (CID 2106430) is N,N'-bis(3-hydroxypropyl)oxamide.
What is the SMILES notation for N,N'-bis(3-hydroxypropyl)oxamide?
The canonical SMILES for N,N'-bis(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)NCCCO.
What is the InChIKey of N,N'-bis(3-hydroxypropyl)oxamide?
The InChIKey is JPCJYZZUEISJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c11-5-1-3-9-7(13)8(14)10-4-2-6-12/h11-12H,1-6H2,(H,9,13)(H,10,14).
What are the key properties of N,N'-bis(3-hydroxypropyl)oxamide?
N,N'-bis(3-hydroxypropyl)oxamide has a molecular weight of 204.23 g/mol, XLogP of -2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hydroxypropyl)oxamide is sourced from PubChem (CID 2106430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).