N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

C25H33N3O5 — CID 4942291

IUPACN-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C25H33N3O5/c1-3-5-6-9-18-33-22-11-8-7-10-21(22)25(31)28-27-24(30)17-16-23(29)26-19-12-14-20(15-13-19)32-4-2/h7-8,10-15H,3-6,9,16-18H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWAOQUOXNWSVCKT-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.22
Rot. Bonds13

About N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 4942291) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID4942291
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC NameN-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C25H33N3O5/c1-3-5-6-9-18-33-22-11-8-7-10-21(22)25(31)28-27-24(30)17-16-23(29)26-19-12-14-20(15-13-19)32-4-2/h7-8,10-15H,3-6,9,16-18H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWAOQUOXNWSVCKT-UHFFFAOYSA-N
XLogP4.22
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4945641
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4948430
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (CID 4942291) is N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is CCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is WAOQUOXNWSVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-3-5-6-9-18-33-22-11-8-7-10-21(22)25(31)28-27-24(30)17-16-23(29)26-19-12-14-20(15-13-19)32-4-2/h7-8,10-15H,3-6,9,16-18H2,1-2H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 455.56 g/mol, XLogP of 4.22, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4942291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).