N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide

C23H29BrN2O4 — CID 4930820

IUPACN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-4-5-6-7-12-29-20-10-8-18(9-11-20)23(28)26-25-21(27)15-30-22-16(2)13-19(24)14-17(22)3/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJKVZZTBJZVOHGK-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.87
Rot. Bonds10

About N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide

N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide (PubChem CID 4930820) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
PubChem CID4930820
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC NameN'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C23H29BrN2O4/c1-4-5-6-7-12-29-20-10-8-18(9-11-20)23(28)26-25-21(27)15-30-22-16(2)13-19(24)14-17(22)3/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJKVZZTBJZVOHGK-UHFFFAOYSA-N
XLogP4.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.87
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

N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
ethyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932710
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
CID 4935386
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide (CID 4930820) is N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The InChIKey is JKVZZTBJZVOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-4-5-6-7-12-29-20-10-8-18(9-11-20)23(28)26-25-21(27)15-30-22-16(2)13-19(24)14-17(22)3/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide?
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4930820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).