5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide

C21H34N2O3 — CID 54784103

IUPAC5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
SMILESCCCCCC(=O)NNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C21H34N2O3/c1-6-7-8-10-19(24)22-23-20(25)21(4,5)13-9-14-26-18-15-16(2)11-12-17(18)3/h11-12,15H,6-10,13-14H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyNAWZEYJNAABENW-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.22
Rot. Bonds10

About 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide

5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide (PubChem CID 54784103) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
PubChem CID54784103
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
SMILESCCCCCC(=O)NNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C21H34N2O3/c1-6-7-8-10-19(24)22-23-20(25)21(4,5)13-9-14-26-18-15-16(2)11-12-17(18)3/h11-12,15H,6-10,13-14H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyNAWZEYJNAABENW-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
N-[4-[[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]carbamoyl]phenyl]acetamide
CID 54784135
1-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylurea
CID 47897550
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-nitrobenzohydrazide
CID 54784113
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-methyl-3-(propanoylamino)phenyl]pentanamide
CID 54783728

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide (CID 54784103) is 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide is CCCCCC(=O)NNC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide?
The InChIKey is NAWZEYJNAABENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-6-7-8-10-19(24)22-23-20(25)21(4,5)13-9-14-26-18-15-16(2)11-12-17(18)3/h11-12,15H,6-10,13-14H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide?
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide has a molecular weight of 362.51 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide is sourced from PubChem (CID 54784103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).