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

C34H50N4O6 — CID 101306119

IUPAC2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide
SMILESCCCCCC(CCCC)(C(=O)NNC(=O)c1ccc(CCCC)cc1O)C(=O)NNC(=O)c1ccc(CCCC)cc1O
InChIInChI=1S/C34H50N4O6/c1-5-9-13-21-34(20-12-8-4,32(43)37-35-30(41)26-18-16-24(14-10-6-2)22-28(26)39)33(44)38-36-31(42)27-19-17-25(15-11-7-3)23-29(27)40/h16-19,22-23,39-40H,5-15,20-21H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyATLDORVOYFLDSV-UHFFFAOYSA-N
MW610.80 g/mol
LogP5.76
Rot. Bonds17

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

2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide (PubChem CID 101306119) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide.

Molecular Properties

Compound Name2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide
PubChem CID101306119
Molecular FormulaC34H50N4O6
Molecular Weight610.80 g/mol
Exact Mass610.37
IUPAC Name2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide
SMILESCCCCCC(CCCC)(C(=O)NNC(=O)c1ccc(CCCC)cc1O)C(=O)NNC(=O)c1ccc(CCCC)cc1O
InChIInChI=1S/C34H50N4O6/c1-5-9-13-21-34(20-12-8-4,32(43)37-35-30(41)26-18-16-24(14-10-6-2)22-28(26)39)33(44)38-36-31(42)27-19-17-25(15-11-7-3)23-29(27)40/h16-19,22-23,39-40H,5-15,20-21H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyATLDORVOYFLDSV-UHFFFAOYSA-N
XLogP5.76
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 ≤ 55.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-N',3-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-pentylpropanedihydrazide
CID 101307112
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
4-butyl-2-hydroxybenzoic acid
CID 14895249
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
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
CID 23069369
2-ethyl-2-heptyl-1-N',3-N'-bis(2-hydroxy-6-pentylbenzoyl)propanedihydrazide
CID 101307074
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
N'-dodecanoyl-2,4-dihydroxybenzohydrazide
CID 18983784
N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
CID 101304313
5-butyl-N'-[3-[3-[2-(5-butyl-2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 101311019
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide?
The IUPAC name of 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide (CID 101306119) is 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide.
What is the SMILES notation for 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide?
The canonical SMILES for 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide is CCCCCC(CCCC)(C(=O)NNC(=O)c1ccc(CCCC)cc1O)C(=O)NNC(=O)c1ccc(CCCC)cc1O.
What is the InChIKey of 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide?
The InChIKey is ATLDORVOYFLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O6/c1-5-9-13-21-34(20-12-8-4,32(43)37-35-30(41)26-18-16-24(14-10-6-2)22-28(26)39)33(44)38-36-31(42)27-19-17-25(15-11-7-3)23-29(27)40/h16-19,22-23,39-40H,5-15,20-21H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44).
What are the key properties of 2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide?
2-butyl-1-N',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide has a molecular weight of 610.80 g/mol, XLogP of 5.76, 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',3-N'-bis(4-butyl-2-hydroxybenzoyl)-2-pentylpropanedihydrazide is sourced from PubChem (CID 101306119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).