4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide

C12H19N3O2 — CID 104554447

IUPAC4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1cc(NN)ccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H19N3O2/c1-8-6-10(14-13)4-5-11(8)12(17)15(3)9(2)7-16/h4-6,9,14,16H,7,13H2,1-3H3
InChIKeyNRVMSDJGGMNMCP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds4

About 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide

4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide (PubChem CID 104554447) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide
PubChem CID104554447
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1cc(NN)ccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H19N3O2/c1-8-6-10(14-13)4-5-11(8)12(17)15(3)9(2)7-16/h4-6,9,14,16H,7,13H2,1-3H3
InChIKeyNRVMSDJGGMNMCP-UHFFFAOYSA-N
XLogP0.73
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
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-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
4-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
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N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967
4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide?
The IUPAC name of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide (CID 104554447) is 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide is Cc1cc(NN)ccc1C(=O)N(C)C(C)CO.
What is the InChIKey of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide?
The InChIKey is NRVMSDJGGMNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-10(14-13)4-5-11(8)12(17)15(3)9(2)7-16/h4-6,9,14,16H,7,13H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide?
4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 104554447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).