2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide

C18H30N6O3 — CID 91021399

IUPAC2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide
SMILESCCc1c(CC(=O)NN)c(CC)c(CC(=O)NN)c(CC)c1CC(=O)NN
InChIInChI=1S/C18H30N6O3/c1-4-10-13(7-16(25)22-19)11(5-2)15(9-18(27)24-21)12(6-3)14(10)8-17(26)23-20/h4-9,19-21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyTYROKZVZGQSNGF-UHFFFAOYSA-N
MW378.48 g/mol
LogP-1.03
Rot. Bonds9

About 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide

2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide (PubChem CID 91021399) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide
PubChem CID91021399
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide
SMILESCCc1c(CC(=O)NN)c(CC)c(CC(=O)NN)c(CC)c1CC(=O)NN
InChIInChI=1S/C18H30N6O3/c1-4-10-13(7-16(25)22-19)11(5-2)15(9-18(27)24-21)12(6-3)14(10)8-17(26)23-20/h4-9,19-21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyTYROKZVZGQSNGF-UHFFFAOYSA-N
XLogP-1.03
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 5-1.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)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

Related Compounds

2-(4-Isobutylphenyl)propanohydrazide
CID 2736674
3-(2,4-dimethylphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 34571522
2-[4-Fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide
CID 156653677
2-(3,4-Dimethylphenyl)-2,2-difluoroacetohydrazide
CID 170755816
N'-[2-(3,4-dimethylphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 9523840
(2S)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 715990
2-(2,5-Dimethylphenyl)acetohydrazide
CID 967809
2-(3,4-Dimethylphenyl)acetohydrazide
CID 3901734
2-[4-(Propan-2-yl)phenyl]acetohydrazide
CID 17245083
2-(2,3,4,5,6-Pentamethylphenyl)propanamide
CID 20672729
5-Amino-4-(2,3,4,5,6-pentamethylphenyl)-1,2-dihydropyrazol-3-one
CID 20689544
2,3,4,5,6-Pentamethylbenzohydrazide
CID 43091089

Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide (CID 91021399) is 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide is CCc1c(CC(=O)NN)c(CC)c(CC(=O)NN)c(CC)c1CC(=O)NN.
What is the InChIKey of 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide?
The InChIKey is TYROKZVZGQSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-4-10-13(7-16(25)22-19)11(5-2)15(9-18(27)24-21)12(6-3)14(10)8-17(26)23-20/h4-9,19-21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide?
2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide has a molecular weight of 378.48 g/mol, XLogP of -1.03, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6-triethyl-3,5-bis(2-hydrazinyl-2-oxoethyl)phenyl]acetohydrazide is sourced from PubChem (CID 91021399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).