(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide

C16H31NO3 — CID 57335668

IUPAC(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide
SMILESCC/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3/b4-3+
InChIKeyNWEXKDITTLGWNB-ONEGZZNKSA-N
MW285.43 g/mol
LogP2.50
Rot. Bonds13

About (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide

(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide (PubChem CID 57335668) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide
PubChem CID57335668
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide
SMILESCC/C=C/CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3/b4-3+
InChIKeyNWEXKDITTLGWNB-ONEGZZNKSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
Oleoyl Sarcosine
CID 6912870
Oleic acid diethanolamide
CID 5371728
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide
CID 5282273
(9Z,12Z)-N,N-Bis(2-hydroxyethyl)octadeca-9,12-dien-1-amide
CID 9976267
Palmitoleoyl Ethanolamide
CID 9835868
alpha-Linolenoyl Ethanolamide
CID 5283449
N,N-Bis(2-hydroxyethyl)undecenamide
CID 108909
Oleic monoisopropanolamide
CID 6436066
(Z)-N-(2-Hydroxyethyl)docos-13-enamide
CID 6436482

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The IUPAC name of (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide (CID 57335668) is (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide.
What is the SMILES notation for (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The canonical SMILES for (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide is CC/C=C/CCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide?
The InChIKey is NWEXKDITTLGWNB-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h3-4,18-19H,2,5-15H2,1H3/b4-3+.
What are the key properties of (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide?
(E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide has a molecular weight of 285.43 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-hydroxyethyl)dodec-9-enamide is sourced from PubChem (CID 57335668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).