1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide

C31H44N4O6 — CID 4506492

IUPAC1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H44N4O6/c1-22(2)24-12-16-26(17-13-24)40-20-30(38)34-32-28(36)10-8-6-5-7-9-11-29(37)33-35-31(39)21-41-27-18-14-25(15-19-27)23(3)4/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39)
InChIKeyPOSCYAKGDMWJCG-UHFFFAOYSA-N
MW568.72 g/mol
LogP4.42
Rot. Bonds16

About 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide

1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide (PubChem CID 4506492) has the molecular formula C31H44N4O6 and a molecular weight of 568.72 g/mol. Its IUPAC name is 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
PubChem CID4506492
Molecular FormulaC31H44N4O6
Molecular Weight568.72 g/mol
Exact Mass568.33
IUPAC Name1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H44N4O6/c1-22(2)24-12-16-26(17-13-24)40-20-30(38)34-32-28(36)10-8-6-5-7-9-11-29(37)33-35-31(39)21-41-27-18-14-25(15-19-27)23(3)4/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39)
InChIKeyPOSCYAKGDMWJCG-UHFFFAOYSA-N
XLogP4.42
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.72
LogP ≤ 54.42
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

3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide (CID 4506492) is 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide is CC(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide?
The InChIKey is POSCYAKGDMWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O6/c1-22(2)24-12-16-26(17-13-24)40-20-30(38)34-32-28(36)10-8-6-5-7-9-11-29(37)33-35-31(39)21-41-27-18-14-25(15-19-27)23(3)4/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39).
What are the key properties of 1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide?
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide has a molecular weight of 568.72 g/mol, XLogP of 4.42, 16 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-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide is sourced from PubChem (CID 4506492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).