N,N'-bis[3-(dimethylamino)propyl]oxamide

C12H26N4O2 — CID 3417591

IUPACN,N'-bis[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C12H26N4O2/c1-15(2)9-5-7-13-11(17)12(18)14-8-6-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyZJFPXDGPJMHQMW-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.88
Rot. Bonds8

About N,N'-bis[3-(dimethylamino)propyl]oxamide

N,N'-bis[3-(dimethylamino)propyl]oxamide (PubChem CID 3417591) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylamino)propyl]oxamide
PubChem CID3417591
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN,N'-bis[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCCCN(C)C
InChIInChI=1S/C12H26N4O2/c1-15(2)9-5-7-13-11(17)12(18)14-8-6-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyZJFPXDGPJMHQMW-UHFFFAOYSA-N
XLogP-0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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-(dimethylamino)propyl]oxamide?
The IUPAC name of N,N'-bis[3-(dimethylamino)propyl]oxamide (CID 3417591) is N,N'-bis[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N,N'-bis[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N,N'-bis[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)NCCCN(C)C.
What is the InChIKey of N,N'-bis[3-(dimethylamino)propyl]oxamide?
The InChIKey is ZJFPXDGPJMHQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-15(2)9-5-7-13-11(17)12(18)14-8-6-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of N,N'-bis[3-(dimethylamino)propyl]oxamide?
N,N'-bis[3-(dimethylamino)propyl]oxamide has a molecular weight of 258.37 g/mol, XLogP of -0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 3417591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).