2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide

C34H50N4O6 — CID 101306110

IUPAC2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
SMILESCCCCc1cccc(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cccc(CCCC)c2O)c1O
InChIInChI=1S/C34H50N4O6/c1-5-9-15-23-18-12-20-27(29(23)39)33(43)37-35-31(41)25(14-8-4)22-26(17-11-7-3)32(42)36-38-34(44)28-21-13-19-24(30(28)40)16-10-6-2/h12-13,18-21,25-26,39-40H,5-11,14-17,22H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyPAPQMDPCMACURE-UHFFFAOYSA-N
MW610.80 g/mol
LogP5.62
Rot. Bonds17

About 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide

2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide (PubChem CID 101306110) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide.

Molecular Properties

Compound Name2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
PubChem CID101306110
Molecular FormulaC34H50N4O6
Molecular Weight610.80 g/mol
Exact Mass610.37
IUPAC Name2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
SMILESCCCCc1cccc(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cccc(CCCC)c2O)c1O
InChIInChI=1S/C34H50N4O6/c1-5-9-15-23-18-12-20-27(29(23)39)33(43)37-35-31(41)25(14-8-4)22-26(17-11-7-3)32(42)36-38-34(44)28-21-13-19-24(30(28)40)16-10-6-2/h12-13,18-21,25-26,39-40H,5-11,14-17,22H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyPAPQMDPCMACURE-UHFFFAOYSA-N
XLogP5.62
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 55.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
2-ethyl-1-N',5-N'-bis(2-hydroxy-3-octylbenzoyl)-4-pentylpentanedihydrazide
CID 101307423
2-ethyl-1-N',7-N'-bis(2-hydroxy-3-pentylbenzoyl)-6-propylheptanedihydrazide
CID 101307087
1-N',9-N'-bis(3-hexyl-2-hydroxybenzoyl)-2-propylnonanedihydrazide
CID 101307139
1-N',7-N'-bis(3-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307247
1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide
CID 101306069
2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
CID 101307449
3-butyl-2-hydroxybenzoic acid
CID 18681512
2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 86028913
2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 101305999
2-butyl-1-N',7-N'-bis(2-heptyl-6-hydroxybenzoyl)-6-methylheptanedihydrazide
CID 101307290
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide?
The IUPAC name of 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide (CID 101306110) is 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide.
What is the SMILES notation for 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide?
The canonical SMILES for 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide is CCCCc1cccc(C(=O)NNC(=O)C(CCC)CC(CCCC)C(=O)NNC(=O)c2cccc(CCCC)c2O)c1O.
What is the InChIKey of 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide?
The InChIKey is PAPQMDPCMACURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O6/c1-5-9-15-23-18-12-20-27(29(23)39)33(43)37-35-31(41)25(14-8-4)22-26(17-11-7-3)32(42)36-38-34(44)28-21-13-19-24(30(28)40)16-10-6-2/h12-13,18-21,25-26,39-40H,5-11,14-17,22H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44).
What are the key properties of 2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide?
2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide has a molecular weight of 610.80 g/mol, XLogP of 5.62, 17 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(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide is sourced from PubChem (CID 101306110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).