N,N'-bis(3-hydroxypropyl)dodec-2-enediamide

C18H34N2O4 — CID 54010155

IUPACN,N'-bis(3-hydroxypropyl)dodec-2-enediamide
SMILESO=C(C=CCCCCCCCCC(=O)NCCCO)NCCCO
InChIInChI=1S/C18H34N2O4/c21-15-9-13-19-17(23)11-7-5-3-1-2-4-6-8-12-18(24)20-14-10-16-22/h7,11,21-22H,1-6,8-10,12-16H2,(H,19,23)(H,20,24)
InChIKeyKRTIHDFLDMBKRS-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.66
Rot. Bonds16

About N,N'-bis(3-hydroxypropyl)dodec-2-enediamide

N,N'-bis(3-hydroxypropyl)dodec-2-enediamide (PubChem CID 54010155) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is N,N'-bis(3-hydroxypropyl)dodec-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(3-hydroxypropyl)dodec-2-enediamide
PubChem CID54010155
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC NameN,N'-bis(3-hydroxypropyl)dodec-2-enediamide
SMILESO=C(C=CCCCCCCCCC(=O)NCCCO)NCCCO
InChIInChI=1S/C18H34N2O4/c21-15-9-13-19-17(23)11-7-5-3-1-2-4-6-8-12-18(24)20-14-10-16-22/h7,11,21-22H,1-6,8-10,12-16H2,(H,19,23)(H,20,24)
InChIKeyKRTIHDFLDMBKRS-UHFFFAOYSA-N
XLogP1.66
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.66
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

(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
CID 19606629
(E)-N-butyldec-2-enamide
CID 160628271
N-(3-hydroxypropyl)pent-2-enamide
CID 174776324
N,N'-bis[(E)-dec-8-enyl]hexanediamide
CID 101279972
N-(3-hydroxypropyl)docosanamide
CID 87200048
N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
CID 87767010
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-hydroxypropyl)dodec-2-enediamide?
The IUPAC name of N,N'-bis(3-hydroxypropyl)dodec-2-enediamide (CID 54010155) is N,N'-bis(3-hydroxypropyl)dodec-2-enediamide.
What is the SMILES notation for N,N'-bis(3-hydroxypropyl)dodec-2-enediamide?
The canonical SMILES for N,N'-bis(3-hydroxypropyl)dodec-2-enediamide is O=C(C=CCCCCCCCCC(=O)NCCCO)NCCCO.
What is the InChIKey of N,N'-bis(3-hydroxypropyl)dodec-2-enediamide?
The InChIKey is KRTIHDFLDMBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c21-15-9-13-19-17(23)11-7-5-3-1-2-4-6-8-12-18(24)20-14-10-16-22/h7,11,21-22H,1-6,8-10,12-16H2,(H,19,23)(H,20,24).
What are the key properties of N,N'-bis(3-hydroxypropyl)dodec-2-enediamide?
N,N'-bis(3-hydroxypropyl)dodec-2-enediamide has a molecular weight of 342.48 g/mol, XLogP of 1.66, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hydroxypropyl)dodec-2-enediamide is sourced from PubChem (CID 54010155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).