N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide

C12H17N3O3 — CID 51673879

IUPACN-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@H](C)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-8-5-3-4-6-10(8)18-7-11(16)14-9(2)12(17)15-13/h3-6,9H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyHIUQZBSICKURGR-SECBINFHSA-N
MW251.29 g/mol
LogP-0.13
Rot. Bonds5

About N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide

N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 51673879) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID51673879
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@H](C)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-8-5-3-4-6-10(8)18-7-11(16)14-9(2)12(17)15-13/h3-6,9H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyHIUQZBSICKURGR-SECBINFHSA-N
XLogP-0.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
potassium;hydride;2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid
CID 173234898
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide (CID 51673879) is N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N[C@H](C)C(=O)NN.
What is the InChIKey of N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is HIUQZBSICKURGR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-3-4-6-10(8)18-7-11(16)14-9(2)12(17)15-13/h3-6,9H,7,13H2,1-2H3,(H,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide?
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 51673879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).