3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide

C21H26N2O5 — CID 55833812

IUPAC3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCOCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O5/c1-26-18-11-10-17(15-19(18)27-2)21(25)23-22-20(24)9-6-13-28-14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVSCCWTZLRNQKFX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.50
Rot. Bonds10

About 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide

3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide (PubChem CID 55833812) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
PubChem CID55833812
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCOCCc2ccccc2)cc1OC
InChIInChI=1S/C21H26N2O5/c1-26-18-11-10-17(15-19(18)27-2)21(25)23-22-20(24)9-6-13-28-14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVSCCWTZLRNQKFX-UHFFFAOYSA-N
XLogP2.50
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
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

3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
3-phenylpropyl 4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 4934519
3-phenylpropyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate
CID 4935034
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
3,4-dimethoxy-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46489323

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide (CID 55833812) is 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CCCOCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide?
The InChIKey is VSCCWTZLRNQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-18-11-10-17(15-19(18)27-2)21(25)23-22-20(24)9-6-13-28-14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide?
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide has a molecular weight of 386.45 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 55833812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).