(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide

C20H38N2O4 — CID 19606629

IUPAC(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
SMILESO=C(/C=C/CCCCCCCCC(=O)NCCCCO)NCCCCO
InChIInChI=1S/C20H38N2O4/c23-17-11-9-15-21-19(25)13-7-5-3-1-2-4-6-8-14-20(26)22-16-10-12-18-24/h7,13,23-24H,1-6,8-12,14-18H2,(H,21,25)(H,22,26)/b13-7+
InChIKeyAMGGSZDSKFKFHI-NTUHNPAUSA-N
MW370.53 g/mol
LogP2.44
Rot. Bonds18

About (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide

(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide (PubChem CID 19606629) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
PubChem CID19606629
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
SMILESO=C(/C=C/CCCCCCCCC(=O)NCCCCO)NCCCCO
InChIInChI=1S/C20H38N2O4/c23-17-11-9-15-21-19(25)13-7-5-3-1-2-4-6-8-14-20(26)22-16-10-12-18-24/h7,13,23-24H,1-6,8-12,14-18H2,(H,21,25)(H,22,26)/b13-7+
InChIKeyAMGGSZDSKFKFHI-NTUHNPAUSA-N
XLogP2.44
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-hydroxypropyl)dodec-2-enediamide
CID 54010155
N,N'-bis[(E)-dec-8-enyl]hexanediamide
CID 101279972
N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-tetradecyloctadec-9-enamide
CID 90860718
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide?
The IUPAC name of (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide (CID 19606629) is (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide is O=C(/C=C/CCCCCCCCC(=O)NCCCCO)NCCCCO.
What is the InChIKey of (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide?
The InChIKey is AMGGSZDSKFKFHI-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H38N2O4/c23-17-11-9-15-21-19(25)13-7-5-3-1-2-4-6-8-14-20(26)22-16-10-12-18-24/h7,13,23-24H,1-6,8-12,14-18H2,(H,21,25)(H,22,26)/b13-7+.
What are the key properties of (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide?
(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide has a molecular weight of 370.53 g/mol, XLogP of 2.44, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide is sourced from PubChem (CID 19606629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).