N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide

C24H30Cl2N2O4 — CID 54784120

IUPACN'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H30Cl2N2O4/c1-15-7-8-16(2)21(13-15)31-12-6-11-24(4,5)23(30)28-27-22(29)17(3)32-20-10-9-18(25)14-19(20)26/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyBNBFZPXXQHNPHQ-UHFFFAOYSA-N
MW481.42 g/mol
LogP5.41
Rot. Bonds9

About N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide

N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide (PubChem CID 54784120) has the molecular formula C24H30Cl2N2O4 and a molecular weight of 481.42 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide
PubChem CID54784120
Molecular FormulaC24H30Cl2N2O4
Molecular Weight481.42 g/mol
Exact Mass480.16
IUPAC NameN'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H30Cl2N2O4/c1-15-7-8-16(2)21(13-15)31-12-6-11-24(4,5)23(30)28-27-22(29)17(3)32-20-10-9-18(25)14-19(20)26/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyBNBFZPXXQHNPHQ-UHFFFAOYSA-N
XLogP5.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
CID 54784103
N-[4-[[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]carbamoyl]phenyl]acetamide
CID 54784135
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
2-[2-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 7386268

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide (CID 54784120) is N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide?
The InChIKey is BNBFZPXXQHNPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O4/c1-15-7-8-16(2)21(13-15)31-12-6-11-24(4,5)23(30)28-27-22(29)17(3)32-20-10-9-18(25)14-19(20)26/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide?
N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide has a molecular weight of 481.42 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide is sourced from PubChem (CID 54784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).