3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide

C19H22N2O4 — CID 26655769

IUPAC3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(C)c2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4/c1-12(2)25-16-9-8-15(11-17(16)24-4)19(23)21-20-18(22)14-7-5-6-13(3)10-14/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyLSKJHXZRFOWHOQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.87
Rot. Bonds5

About 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 26655769) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
PubChem CID26655769
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(C)c2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4/c1-12(2)25-16-9-8-15(11-17(16)24-4)19(23)21-20-18(22)14-7-5-6-13(3)10-14/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyLSKJHXZRFOWHOQ-UHFFFAOYSA-N
XLogP2.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.87
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'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide (CID 26655769) is 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(C)c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is LSKJHXZRFOWHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)25-16-9-8-15(11-17(16)24-4)19(23)21-20-18(22)14-7-5-6-13(3)10-14/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 26655769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).