N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C27H46N4O4 — CID 54495964

IUPACN'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCC=CCc1cc(O)n(N(C(=O)C(N)=O)C2CC(C)(C)NC(C)(C)C2)c1O
InChIInChI=1S/C27H46N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(32)31(24(20)34)30(25(35)23(28)33)21-18-26(2,3)29-27(4,5)19-21/h14-15,17,21,29,32,34H,6-13,16,18-19H2,1-5H3,(H2,28,33)
InChIKeyXZDAMBQHTGBNFW-UHFFFAOYSA-N
MW490.69 g/mol
LogP4.40
Rot. Bonds12

About N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 54495964) has the molecular formula C27H46N4O4 and a molecular weight of 490.69 g/mol. Its IUPAC name is N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID54495964
Molecular FormulaC27H46N4O4
Molecular Weight490.69 g/mol
Exact Mass490.35
IUPAC NameN'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCCCCCCCCCC=CCc1cc(O)n(N(C(=O)C(N)=O)C2CC(C)(C)NC(C)(C)C2)c1O
InChIInChI=1S/C27H46N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(32)31(24(20)34)30(25(35)23(28)33)21-18-26(2,3)29-27(4,5)19-21/h14-15,17,21,29,32,34H,6-13,16,18-19H2,1-5H3,(H2,28,33)
InChIKeyXZDAMBQHTGBNFW-UHFFFAOYSA-N
XLogP4.40
TPSA120.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-dec-2-enyl-4-hydroxybenzoic acid
CID 158619955
3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(3-dodec-1-enyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 70393337
(Z)-octadec-9-enamide;platinum
CID 174872668
2-dodec-2-enyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanedioic acid
CID 54247790
2-hexadec-2-enyl-5-methylbenzene-1,4-diol
CID 67844524
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
CID 18998994
5-pentadeca-2,8-dienylbenzene-1,3-diol
CID 75111208
5-[(E)-heptadec-2-enyl]benzene-1,3-diol
CID 131752392
nonadec-3-enamide
CID 54215031
carbamic acid;methane;(Z)-tetradec-5-ene
CID 174913616
(Z)-(113C)octadec-9-enamide
CID 175811454
(E)-icos-11-enamide
CID 5365373

Frequently Asked Questions

What is the IUPAC name of N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 54495964) is N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CCCCCCCCCC=CCc1cc(O)n(N(C(=O)C(N)=O)C2CC(C)(C)NC(C)(C)C2)c1O.
What is the InChIKey of N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is XZDAMBQHTGBNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(32)31(24(20)34)30(25(35)23(28)33)21-18-26(2,3)29-27(4,5)19-21/h14-15,17,21,29,32,34H,6-13,16,18-19H2,1-5H3,(H2,28,33).
What are the key properties of N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 490.69 g/mol, XLogP of 4.40, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-dodec-2-enyl-2,5-dihydroxypyrrol-1-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 54495964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).