2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide

C21H26N4O — CID 58181274

IUPAC2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CC4CC3CN4)cc2)cc1
InChIInChI=1S/C21H26N4O/c22-24-21(26)11-17-5-3-15(4-6-17)1-2-16-7-9-19(10-8-16)25-14-18-12-20(25)13-23-18/h3-10,18,20,23H,1-2,11-14,22H2,(H,24,26)
InChIKeyRUSCUIMYCIHSEU-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.55
Rot. Bonds6

About 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide

2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide (PubChem CID 58181274) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide
PubChem CID58181274
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CC4CC3CN4)cc2)cc1
InChIInChI=1S/C21H26N4O/c22-24-21(26)11-17-5-3-15(4-6-17)1-2-16-7-9-19(10-8-16)25-14-18-12-20(25)13-23-18/h3-10,18,20,23H,1-2,11-14,22H2,(H,24,26)
InChIKeyRUSCUIMYCIHSEU-UHFFFAOYSA-N
XLogP1.55
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide 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 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide (CID 58181274) is 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CCc2ccc(N3CC4CC3CN4)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide?
The InChIKey is RUSCUIMYCIHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-24-21(26)11-17-5-3-15(4-6-17)1-2-16-7-9-19(10-8-16)25-14-18-12-20(25)13-23-18/h3-10,18,20,23H,1-2,11-14,22H2,(H,24,26).
What are the key properties of 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide has a molecular weight of 350.47 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 58181274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).