1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide

C33H46Br2N4O6 — CID 4922528

IUPAC1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C33H46Br2N4O6/c1-32(2,3)22-14-16-26(24(34)18-22)44-20-30(42)38-36-28(40)12-10-8-7-9-11-13-29(41)37-39-31(43)21-45-27-17-15-23(19-25(27)35)33(4,5)6/h14-19H,7-13,20-21H2,1-6H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
InChIKeyGYEZYVKQDOVFCP-UHFFFAOYSA-N
MW754.56 g/mol
LogP6.29
Rot. Bonds14

About 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide

1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide (PubChem CID 4922528) has the molecular formula C33H46Br2N4O6 and a molecular weight of 754.56 g/mol. Its IUPAC name is 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
PubChem CID4922528
Molecular FormulaC33H46Br2N4O6
Molecular Weight754.56 g/mol
Exact Mass752.18
IUPAC Name1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C33H46Br2N4O6/c1-32(2,3)22-14-16-26(24(34)18-22)44-20-30(42)38-36-28(40)12-10-8-7-9-11-13-29(41)37-39-31(43)21-45-27-17-15-23(19-25(27)35)33(4,5)6/h14-19H,7-13,20-21H2,1-6H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
InChIKeyGYEZYVKQDOVFCP-UHFFFAOYSA-N
XLogP6.29
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.56
LogP ≤ 56.29
H-Bond Donors ≤ 54
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'}

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Related Compounds

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
CID 17133652
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 4922426
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide (CID 4922528) is 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1.
What is the InChIKey of 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide?
The InChIKey is GYEZYVKQDOVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46Br2N4O6/c1-32(2,3)22-14-16-26(24(34)18-22)44-20-30(42)38-36-28(40)12-10-8-7-9-11-13-29(41)37-39-31(43)21-45-27-17-15-23(19-25(27)35)33(4,5)6/h14-19H,7-13,20-21H2,1-6H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43).
What are the key properties of 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide?
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide has a molecular weight of 754.56 g/mol, XLogP of 6.29, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide is sourced from PubChem (CID 4922528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).