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

C27H36N4O8 — CID 3303798

IUPAC1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H36N4O8/c1-36-20-10-14-22(15-11-20)38-18-26(34)30-28-24(32)8-6-4-3-5-7-9-25(33)29-31-27(35)19-39-23-16-12-21(37-2)13-17-23/h10-17H,3-9,18-19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyVXINJEQKNWPOPM-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.19
Rot. Bonds16

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

1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide (PubChem CID 3303798) has the molecular formula C27H36N4O8 and a molecular weight of 544.61 g/mol. Its IUPAC name is 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
PubChem CID3303798
Molecular FormulaC27H36N4O8
Molecular Weight544.61 g/mol
Exact Mass544.25
IUPAC Name1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H36N4O8/c1-36-20-10-14-22(15-11-20)38-18-26(34)30-28-24(32)8-6-4-3-5-7-9-25(33)29-31-27(35)19-39-23-16-12-21(37-2)13-17-23/h10-17H,3-9,18-19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyVXINJEQKNWPOPM-UHFFFAOYSA-N
XLogP2.19
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949711
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
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
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide (CID 3303798) is 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide is COc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide?
The InChIKey is VXINJEQKNWPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O8/c1-36-20-10-14-22(15-11-20)38-18-26(34)30-28-24(32)8-6-4-3-5-7-9-25(33)29-31-27(35)19-39-23-16-12-21(37-2)13-17-23/h10-17H,3-9,18-19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35).
What are the key properties of 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide?
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide has a molecular weight of 544.61 g/mol, XLogP of 2.19, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide is sourced from PubChem (CID 3303798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).