N,N'-dibutylbutanediamide

C12H24N2O2 — CID 4517495

IUPACN,N'-dibutylbutanediamide
SMILESCCCCNC(=O)CCC(=O)NCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-9-13-11(15)7-8-12(16)14-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZWLBGKRKOMBCCC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds9

About N,N'-dibutylbutanediamide

N,N'-dibutylbutanediamide (PubChem CID 4517495) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N'-dibutylbutanediamide.

Molecular Properties

Compound NameN,N'-dibutylbutanediamide
PubChem CID4517495
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N'-dibutylbutanediamide
SMILESCCCCNC(=O)CCC(=O)NCCCC
InChIInChI=1S/C12H24N2O2/c1-3-5-9-13-11(15)7-8-12(16)14-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZWLBGKRKOMBCCC-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutylbutanediamide?
The IUPAC name of N,N'-dibutylbutanediamide (CID 4517495) is N,N'-dibutylbutanediamide.
What is the SMILES notation for N,N'-dibutylbutanediamide?
The canonical SMILES for N,N'-dibutylbutanediamide is CCCCNC(=O)CCC(=O)NCCCC.
What is the InChIKey of N,N'-dibutylbutanediamide?
The InChIKey is ZWLBGKRKOMBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-9-13-11(15)7-8-12(16)14-10-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-dibutylbutanediamide?
N,N'-dibutylbutanediamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylbutanediamide is sourced from PubChem (CID 4517495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).