N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide

C13H19N3O2 — CID 9179483

IUPACN-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)NN(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-5-7-11(8-9)13(18)14-10(2)12(17)15-16(3)4/h5-8,10H,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyRWFSBEYMEDOESR-JTQLQIEISA-N
MW249.31 g/mol
LogP0.71
Rot. Bonds4

About N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide

N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 9179483) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID9179483
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)NN(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-5-7-11(8-9)13(18)14-10(2)12(17)15-16(3)4/h5-8,10H,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1
InChIKeyRWFSBEYMEDOESR-JTQLQIEISA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.71
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

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3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885262
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
3-methyl-N-[(2R)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41087849
N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55495204
N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9366850
N-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771996
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[(2S)-1-[[(3S)-3-hydroxy-3-phenylpropyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 97007071

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide (CID 9179483) is N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C)C(=O)NN(C)C)c1.
What is the InChIKey of N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is RWFSBEYMEDOESR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-5-7-11(8-9)13(18)14-10(2)12(17)15-16(3)4/h5-8,10H,1-4H3,(H,14,18)(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 9179483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).