N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide

C32H57N3O4 — CID 70169925

IUPACN'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NNC(=O)C(CC)N1C(=O)C=CC1=O
InChIInChI=1S/C32H57N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(36)33-34-32(39)28(4-2)35-30(37)26-27-31(35)38/h26-28H,3-25H2,1-2H3,(H,33,36)(H,34,39)
InChIKeyWVDUVSIQAPIHHK-UHFFFAOYSA-N
MW547.83 g/mol
LogP7.44
Rot. Bonds25

About N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide

N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide (PubChem CID 70169925) has the molecular formula C32H57N3O4 and a molecular weight of 547.83 g/mol. Its IUPAC name is N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide
PubChem CID70169925
Molecular FormulaC32H57N3O4
Molecular Weight547.83 g/mol
Exact Mass547.43
IUPAC NameN'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NNC(=O)C(CC)N1C(=O)C=CC1=O
InChIInChI=1S/C32H57N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(36)33-34-32(39)28(4-2)35-30(37)26-27-31(35)38/h26-28H,3-25H2,1-2H3,(H,33,36)(H,34,39)
InChIKeyWVDUVSIQAPIHHK-UHFFFAOYSA-N
XLogP7.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

11-Maleimidoundecanoic Acid Hydrazide
CID 4438236
N'-acetyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 59867050
2-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 67128129
24-[Butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide
CID 70169924
2-[4-(2,5-Dioxopyrrol-1-yl)butanoylamino]tetracosanamide
CID 70169927
N-[(2S)-1-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 71294542
N'-[(2S)-2-aminobutanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
CID 71294768
2-(2,5-Dioxopyrrol-1-yl)hexanehydrazide;hydrochloride
CID 89621597
(2S)-6-amino-N-[(2S)-6-amino-1-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-1-oxohexan-2-yl]-2-[[(2S)-6-amino-2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]hexanoyl]amino]hexanamide
CID 90059791
2-(2,5-Dioxopyrrol-1-yl)undecanehydrazide
CID 135220937
11-(2,5-dioxopyrrol-1-yl)-N'-methylundecanehydrazide
CID 147575393
N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
CID 168747559

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide?
The IUPAC name of N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide (CID 70169925) is N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide.
What is the SMILES notation for N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide?
The canonical SMILES for N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NNC(=O)C(CC)N1C(=O)C=CC1=O.
What is the InChIKey of N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide?
The InChIKey is WVDUVSIQAPIHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(36)33-34-32(39)28(4-2)35-30(37)26-27-31(35)38/h26-28H,3-25H2,1-2H3,(H,33,36)(H,34,39).
What are the key properties of N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide?
N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide has a molecular weight of 547.83 g/mol, XLogP of 7.44, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dioxopyrrol-1-yl)butanoyl]tetracosanehydrazide is sourced from PubChem (CID 70169925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).