N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide

C27H38N2O4 — CID 17150845

IUPACN'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2ccccc2C(C)CC)cc1
InChIInChI=1S/C27H38N2O4/c1-5-8-9-12-19-32-22-17-15-21(16-18-22)26(30)28-29-27(31)24(7-3)33-25-14-11-10-13-23(25)20(4)6-2/h10-11,13-18,20,24H,5-9,12,19H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyYQVKACHMXHSXHW-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.78
Rot. Bonds13

About N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide

N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide (PubChem CID 17150845) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
PubChem CID17150845
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2ccccc2C(C)CC)cc1
InChIInChI=1S/C27H38N2O4/c1-5-8-9-12-19-32-22-17-15-21(16-18-22)26(30)28-29-27(31)24(7-3)33-25-14-11-10-13-23(25)20(4)6-2/h10-11,13-18,20,24H,5-9,12,19H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyYQVKACHMXHSXHW-UHFFFAOYSA-N
XLogP5.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.78
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-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
CID 17150849
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide (CID 17150845) is N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)C(CC)Oc2ccccc2C(C)CC)cc1.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide?
The InChIKey is YQVKACHMXHSXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-5-8-9-12-19-32-22-17-15-21(16-18-22)26(30)28-29-27(31)24(7-3)33-25-14-11-10-13-23(25)20(4)6-2/h10-11,13-18,20,24H,5-9,12,19H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide?
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide has a molecular weight of 454.61 g/mol, XLogP of 5.78, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 17150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).