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

C20H24N2O5 — CID 4932168

IUPAC3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-5-15(27-16-9-7-6-8-13(16)2)20(24)22-21-19(23)14-10-11-17(25-3)18(12-14)26-4/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYQVBNZRVBSMIKA-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.63
Rot. Bonds7

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

3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide (PubChem CID 4932168) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
PubChem CID4932168
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-5-15(27-16-9-7-6-8-13(16)2)20(24)22-21-19(23)14-10-11-17(25-3)18(12-14)26-4/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYQVBNZRVBSMIKA-UHFFFAOYSA-N
XLogP2.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932135
N'-[2-(2-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4932128
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide (CID 4932168) is 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide is CCC(Oc1ccccc1C)C(=O)NNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
The InChIKey is YQVBNZRVBSMIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-15(27-16-9-7-6-8-13(16)2)20(24)22-21-19(23)14-10-11-17(25-3)18(12-14)26-4/h6-12,15H,5H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide?
3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide has a molecular weight of 372.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 4932168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).