N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide

C19H33N3O3 — CID 168747559

IUPACN'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCC(C)(C)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N3O3/c1-19(2,3)21-20-16(23)12-10-8-6-4-5-7-9-11-15-22-17(24)13-14-18(22)25/h13-14,21H,4-12,15H2,1-3H3,(H,20,23)
InChIKeyGSRKOTOAVQXQGP-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.84
Rot. Bonds12

About N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide

N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide (PubChem CID 168747559) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide.

Molecular Properties

Compound NameN'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
PubChem CID168747559
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCC(C)(C)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N3O3/c1-19(2,3)21-20-16(23)12-10-8-6-4-5-7-9-11-15-22-17(24)13-14-18(22)25/h13-14,21H,4-12,15H2,1-3H3,(H,20,23)
InChIKeyGSRKOTOAVQXQGP-UHFFFAOYSA-N
XLogP2.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.84
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'}

Analyze N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The IUPAC name of N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide (CID 168747559) is N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide.
What is the SMILES notation for N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The canonical SMILES for N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide is CC(C)(C)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The InChIKey is GSRKOTOAVQXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-19(2,3)21-20-16(23)12-10-8-6-4-5-7-9-11-15-22-17(24)13-14-18(22)25/h13-14,21H,4-12,15H2,1-3H3,(H,20,23).
What are the key properties of N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide has a molecular weight of 351.49 g/mol, XLogP of 2.84, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-11-(2,5-dioxopyrrol-1-yl)undecanehydrazide is sourced from PubChem (CID 168747559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).