1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide

C27H36N4O6 — CID 3554714

IUPAC1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C27H36N4O6/c1-18(2)20-10-5-7-12-22(20)36-16-26(34)30-28-24(32)14-9-15-25(33)29-31-27(35)17-37-23-13-8-6-11-21(23)19(3)4/h5-8,10-13,18-19H,9,14-17H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyFDMLNPRSNDUWEA-UHFFFAOYSA-N
MW512.61 g/mol
LogP2.86
Rot. Bonds12

About 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide

1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide (PubChem CID 3554714) has the molecular formula C27H36N4O6 and a molecular weight of 512.61 g/mol. Its IUPAC name is 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide.

Molecular Properties

Compound Name1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
PubChem CID3554714
Molecular FormulaC27H36N4O6
Molecular Weight512.61 g/mol
Exact Mass512.26
IUPAC Name1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C27H36N4O6/c1-18(2)20-10-5-7-12-22(20)36-16-26(34)30-28-24(32)14-9-15-25(33)29-31-27(35)17-37-23-13-8-6-11-21(23)19(3)4/h5-8,10-13,18-19H,9,14-17H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyFDMLNPRSNDUWEA-UHFFFAOYSA-N
XLogP2.86
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561

Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide?
The IUPAC name of 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide (CID 3554714) is 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide.
What is the SMILES notation for 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide?
The canonical SMILES for 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide is CC(C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide?
The InChIKey is FDMLNPRSNDUWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O6/c1-18(2)20-10-5-7-12-22(20)36-16-26(34)30-28-24(32)14-9-15-25(33)29-31-27(35)17-37-23-13-8-6-11-21(23)19(3)4/h5-8,10-13,18-19H,9,14-17H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35).
What are the key properties of 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide?
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide has a molecular weight of 512.61 g/mol, XLogP of 2.86, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide is sourced from PubChem (CID 3554714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).