4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide

C12H19N3O2 — CID 102700668

IUPAC4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
SMILESCOC(C)CNC(=O)c1ccc(NN)cc1C
InChIInChI=1S/C12H19N3O2/c1-8-6-10(15-13)4-5-11(8)12(16)14-7-9(2)17-3/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyAPYHMONMHLFDCV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds5

About 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide

4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide (PubChem CID 102700668) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
PubChem CID102700668
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
SMILESCOC(C)CNC(=O)c1ccc(NN)cc1C
InChIInChI=1S/C12H19N3O2/c1-8-6-10(15-13)4-5-11(8)12(16)14-7-9(2)17-3/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyAPYHMONMHLFDCV-UHFFFAOYSA-N
XLogP1.05
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283
4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 113400327
3-hydrazinyl-N-(2-methoxypropyl)pyridine-4-carboxamide
CID 102700639
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide
CID 104554447

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide?
The IUPAC name of 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide (CID 102700668) is 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide?
The canonical SMILES for 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide is COC(C)CNC(=O)c1ccc(NN)cc1C.
What is the InChIKey of 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide?
The InChIKey is APYHMONMHLFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-10(15-13)4-5-11(8)12(16)14-7-9(2)17-3/h4-6,9,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide?
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide is sourced from PubChem (CID 102700668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).