4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide

C13H20N2O2 — CID 116846868

IUPAC4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
SMILESCNNC(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)10-7-11(13(16)15-14-4)9(3)6-12(10)17-5/h6-8,14H,1-5H3,(H,15,16)
InChIKeyIWOBWFXGTJTNGN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds4

About 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide

4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide (PubChem CID 116846868) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
PubChem CID116846868
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
SMILESCNNC(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)10-7-11(13(16)15-14-4)9(3)6-12(10)17-5/h6-8,14H,1-5H3,(H,15,16)
InChIKeyIWOBWFXGTJTNGN-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide?
The IUPAC name of 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide (CID 116846868) is 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide?
The canonical SMILES for 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide is CNNC(=O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide?
The InChIKey is IWOBWFXGTJTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)10-7-11(13(16)15-14-4)9(3)6-12(10)17-5/h6-8,14H,1-5H3,(H,15,16).
What are the key properties of 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide?
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide is sourced from PubChem (CID 116846868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).