2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide

C42H66N4O6 — CID 101307449

IUPAC2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
SMILESCCCCCCCCc1ccc(O)c(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cc(CCCCCCCC)ccc2O)c1
InChIInChI=1S/C42H66N4O6/c1-5-9-12-14-16-18-21-31-24-26-37(47)35(28-31)41(51)45-43-39(49)33(20-8-4)30-34(23-11-7-3)40(50)44-46-42(52)36-29-32(25-27-38(36)48)22-19-17-15-13-10-6-2/h24-29,33-34,47-48H,5-23,30H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)
InChIKeySUMSLYLUNYRWIX-UHFFFAOYSA-N
MW723.01 g/mol
LogP8.74
Rot. Bonds25

About 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide

2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide (PubChem CID 101307449) has the molecular formula C42H66N4O6 and a molecular weight of 723.01 g/mol. Its IUPAC name is 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide.

Molecular Properties

Compound Name2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
PubChem CID101307449
Molecular FormulaC42H66N4O6
Molecular Weight723.01 g/mol
Exact Mass722.50
IUPAC Name2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
SMILESCCCCCCCCc1ccc(O)c(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cc(CCCCCCCC)ccc2O)c1
InChIInChI=1S/C42H66N4O6/c1-5-9-12-14-16-18-21-31-24-26-37(47)35(28-31)41(51)45-43-39(49)33(20-8-4)30-34(23-11-7-3)40(50)44-46-42(52)36-29-32(25-27-38(36)48)22-19-17-15-13-10-6-2/h24-29,33-34,47-48H,5-23,30H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)
InChIKeySUMSLYLUNYRWIX-UHFFFAOYSA-N
XLogP8.74
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.01
LogP ≤ 58.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide 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-butyl-5-ethyl-1-N',6-N'-bis(5-heptyl-2-hydroxybenzoyl)hexanedihydrazide
CID 101307317
1-N',7-N'-bis(5-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307249
1-N',6-N'-bis(5-hexyl-2-hydroxybenzoyl)-2-methyl-5-pentylhexanedihydrazide
CID 101307169
2-ethyl-1-N',9-N'-bis(2-hydroxy-5-octylbenzoyl)-8-methylnonanedihydrazide
CID 101307409
1-N',3-N'-bis(2-hydroxy-5-pentylbenzoyl)-2-nonylpropanedihydrazide
CID 101307001
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
2-butyl-5-ethyl-1-N',6-N'-bis(2-hydroxy-4-pentylbenzoyl)hexanedihydrazide
CID 101307084
1-N',8-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-methyl-7-propyloctanedihydrazide
CID 101307060
2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
CID 101306110
N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide
CID 101304325
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
CID 101304313

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide?
The IUPAC name of 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide (CID 101307449) is 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide.
What is the SMILES notation for 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide?
The canonical SMILES for 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide is CCCCCCCCc1ccc(O)c(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cc(CCCCCCCC)ccc2O)c1.
What is the InChIKey of 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide?
The InChIKey is SUMSLYLUNYRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66N4O6/c1-5-9-12-14-16-18-21-31-24-26-37(47)35(28-31)41(51)45-43-39(49)33(20-8-4)30-34(23-11-7-3)40(50)44-46-42(52)36-29-32(25-27-38(36)48)22-19-17-15-13-10-6-2/h24-29,33-34,47-48H,5-23,30H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52).
What are the key properties of 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide?
2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide has a molecular weight of 723.01 g/mol, XLogP of 8.74, 25 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide is sourced from PubChem (CID 101307449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).