N,N'-bis(2-ethylhexyl)butanediamide

C20H40N2O2 — CID 2933775

IUPACN,N'-bis(2-ethylhexyl)butanediamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHFROAVSQZYUARR-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.43
Rot. Bonds15

About N,N'-bis(2-ethylhexyl)butanediamide

N,N'-bis(2-ethylhexyl)butanediamide (PubChem CID 2933775) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N,N'-bis(2-ethylhexyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2-ethylhexyl)butanediamide
PubChem CID2933775
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN,N'-bis(2-ethylhexyl)butanediamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHFROAVSQZYUARR-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethylhexyl)butanediamide?
The IUPAC name of N,N'-bis(2-ethylhexyl)butanediamide (CID 2933775) is N,N'-bis(2-ethylhexyl)butanediamide.
What is the SMILES notation for N,N'-bis(2-ethylhexyl)butanediamide?
The canonical SMILES for N,N'-bis(2-ethylhexyl)butanediamide is CCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC.
What is the InChIKey of N,N'-bis(2-ethylhexyl)butanediamide?
The InChIKey is HFROAVSQZYUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2-ethylhexyl)butanediamide?
N,N'-bis(2-ethylhexyl)butanediamide has a molecular weight of 340.55 g/mol, XLogP of 4.43, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethylhexyl)butanediamide is sourced from PubChem (CID 2933775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).