2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide

C21H24N2O4 — CID 9220935

IUPAC2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
SMILESCCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-27-17-10-8-16(9-11-17)19(24)12-13-20(25)22-23-21(26)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYLGTWVXUUNNRMG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.21
Rot. Bonds8

About 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide

2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide (PubChem CID 9220935) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
PubChem CID9220935
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
SMILESCCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-27-17-10-8-16(9-11-17)19(24)12-13-20(25)22-23-21(26)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyYLGTWVXUUNNRMG-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
CID 7978312
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42966217
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
CID 4816885
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide (CID 9220935) is 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide is CCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide?
The InChIKey is YLGTWVXUUNNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-14-27-17-10-8-16(9-11-17)19(24)12-13-20(25)22-23-21(26)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide?
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide has a molecular weight of 368.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide is sourced from PubChem (CID 9220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).