2,2,3,3-tetrabutylhexanediamide

C22H44N2O2 — CID 18792229

IUPAC2,2,3,3-tetrabutylhexanediamide
SMILESCCCCC(CCCC)(CCC(N)=O)C(CCCC)(CCCC)C(N)=O
InChIInChI=1S/C22H44N2O2/c1-5-9-14-21(15-10-6-2,18-13-19(23)25)22(20(24)26,16-11-7-3)17-12-8-4/h5-18H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyFATDXYYTZIBLCS-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.47
Rot. Bonds17

About 2,2,3,3-tetrabutylhexanediamide

2,2,3,3-tetrabutylhexanediamide (PubChem CID 18792229) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2,2,3,3-tetrabutylhexanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrabutylhexanediamide
PubChem CID18792229
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name2,2,3,3-tetrabutylhexanediamide
SMILESCCCCC(CCCC)(CCC(N)=O)C(CCCC)(CCCC)C(N)=O
InChIInChI=1S/C22H44N2O2/c1-5-9-14-21(15-10-6-2,18-13-19(23)25)22(20(24)26,16-11-7-3)17-12-8-4/h5-18H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyFATDXYYTZIBLCS-UHFFFAOYSA-N
XLogP5.47
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-4-hydroxyoctanamide
CID 139781323
2,2-dipropylpentanediamide;hydrochloride
CID 174451437
2-tert-butyl-2-methylhexanamide
CID 175947607
4-methyl-4-pentyldecanamide
CID 155082374
tetradecanamide
CID 175692014
acetamide;pentanamide
CID 158041283
CID 87899207
CID 87899207
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
3-octadecyl-3-pentadecyl-2,2-di(tetradecyl)henicosanoic acid
CID 87337627
potassium;hexanamide;hydride
CID 173117462
octadecanamide;zinc
CID 87169213

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrabutylhexanediamide?
The IUPAC name of 2,2,3,3-tetrabutylhexanediamide (CID 18792229) is 2,2,3,3-tetrabutylhexanediamide.
What is the SMILES notation for 2,2,3,3-tetrabutylhexanediamide?
The canonical SMILES for 2,2,3,3-tetrabutylhexanediamide is CCCCC(CCCC)(CCC(N)=O)C(CCCC)(CCCC)C(N)=O.
What is the InChIKey of 2,2,3,3-tetrabutylhexanediamide?
The InChIKey is FATDXYYTZIBLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-5-9-14-21(15-10-6-2,18-13-19(23)25)22(20(24)26,16-11-7-3)17-12-8-4/h5-18H2,1-4H3,(H2,23,25)(H2,24,26).
What are the key properties of 2,2,3,3-tetrabutylhexanediamide?
2,2,3,3-tetrabutylhexanediamide has a molecular weight of 368.61 g/mol, XLogP of 5.47, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrabutylhexanediamide is sourced from PubChem (CID 18792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).