N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide

C19H22N2O3 — CID 11771754

IUPACN'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
SMILESCOc1cccc(C(=O)NN(C)C(=O)c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-9-13(2)11-15(10-12)19(23)21(4)20-18(22)16-7-6-8-17(24-5)14(16)3/h6-11H,1-5H3,(H,20,22)
InChIKeyWXDDNHNGYQMETB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.04
Rot. Bonds3

About N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide

N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide (PubChem CID 11771754) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
PubChem CID11771754
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
SMILESCOc1cccc(C(=O)NN(C)C(=O)c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-9-13(2)11-15(10-12)19(23)21(4)20-18(22)16-7-6-8-17(24-5)14(16)3/h6-11H,1-5H3,(H,20,22)
InChIKeyWXDDNHNGYQMETB-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide?
The IUPAC name of N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide (CID 11771754) is N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide?
The canonical SMILES for N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide is COc1cccc(C(=O)NN(C)C(=O)c2cc(C)cc(C)c2)c1C.
What is the InChIKey of N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide?
The InChIKey is WXDDNHNGYQMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-9-13(2)11-15(10-12)19(23)21(4)20-18(22)16-7-6-8-17(24-5)14(16)3/h6-11H,1-5H3,(H,20,22).
What are the key properties of N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide?
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide is sourced from PubChem (CID 11771754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).