1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide

C20H22N4O6 — CID 3140699

IUPAC1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O6/c1-29-15-7-3-13(4-8-15)19(27)23-21-17(25)11-12-18(26)22-24-20(28)14-5-9-16(30-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyHJGVNSCGVYGTQE-UHFFFAOYSA-N
MW414.42 g/mol
LogP0.71
Rot. Bonds7

About 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide (PubChem CID 3140699) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
PubChem CID3140699
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC Name1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O6/c1-29-15-7-3-13(4-8-15)19(27)23-21-17(25)11-12-18(26)22-24-20(28)14-5-9-16(30-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyHJGVNSCGVYGTQE-UHFFFAOYSA-N
XLogP0.71
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
[2-(4-methoxyphenyl)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17261455
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
CID 1011747
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide?
The IUPAC name of 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide (CID 3140699) is 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide.
What is the SMILES notation for 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide?
The canonical SMILES for 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide is COc1ccc(C(=O)NNC(=O)CCC(=O)NNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide?
The InChIKey is HJGVNSCGVYGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-29-15-7-3-13(4-8-15)19(27)23-21-17(25)11-12-18(26)22-24-20(28)14-5-9-16(30-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide?
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide has a molecular weight of 414.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide is sourced from PubChem (CID 3140699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).