3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide

C18H20N2O4 — CID 846324

IUPAC3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)18(22)20-19-17(21)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCPYJPHIOIKKJFL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds6

About 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide

3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide (PubChem CID 846324) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
PubChem CID846324
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)18(22)20-19-17(21)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCPYJPHIOIKKJFL-UHFFFAOYSA-N
XLogP2.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
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

N'1,N'6-bis(4-methoxybenzoyl)hexanedihydrazide
CID 3115394
1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
3,4,5-Trimethoxybenzohydrazide
CID 76793
m-Anisohydrazide
CID 79848
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
3,5-Dimethoxybenzamide
CID 72878
3,5-Dimethoxybenzohydrazide
CID 352312
4-methoxy-N'-(phenylacetyl)benzohydrazide
CID 695069
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
N'-cinnamoyl-3-methoxybenzohydrazide
CID 795407
N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
CID 916392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide (CID 846324) is 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
The InChIKey is CPYJPHIOIKKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)18(22)20-19-17(21)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide?
3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide has a molecular weight of 328.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide is sourced from PubChem (CID 846324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).