N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide

C23H30N2O3 — CID 54784126

IUPACN'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O3/c1-16-8-11-19(12-9-16)21(26)24-25-22(27)23(4,5)13-6-14-28-20-15-17(2)7-10-18(20)3/h7-12,15H,6,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyVTNQAMFXECCWBU-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.26
Rot. Bonds7

About N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide

N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide (PubChem CID 54784126) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
PubChem CID54784126
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O3/c1-16-8-11-19(12-9-16)21(26)24-25-22(27)23(4,5)13-6-14-28-20-15-17(2)7-10-18(20)3/h7-12,15H,6,13-14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyVTNQAMFXECCWBU-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.26
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

N-[4-[[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]carbamoyl]phenyl]acetamide
CID 54784135
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-nitrobenzohydrazide
CID 54784113
N-[4-[[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 54784136
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
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
CID 54784103
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
4-tert-butyl-N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]carbamothioylamino]phenyl]benzamide
CID 54784256
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[(4-methylphenyl)carbamothioyl]pentanamide
CID 54783990
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
CID 158479808

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide (CID 54784126) is N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide?
The InChIKey is VTNQAMFXECCWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16-8-11-19(12-9-16)21(26)24-25-22(27)23(4,5)13-6-14-28-20-15-17(2)7-10-18(20)3/h7-12,15H,6,13-14H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide?
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide has a molecular weight of 382.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 54784126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).