N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide

C16H23N3O4 — CID 9469812

IUPACN-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=O)COc1ccccc1C)C(C)C
InChIInChI=1S/C16H23N3O4/c1-10(2)15(17-12(4)20)16(22)19-18-14(21)9-23-13-8-6-5-7-11(13)3/h5-8,10,15H,9H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyFGEGLJBTVJTKLB-HNNXBMFYSA-N
MW321.38 g/mol
LogP0.68
Rot. Bonds6

About N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide

N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide (PubChem CID 9469812) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
PubChem CID9469812
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=O)COc1ccccc1C)C(C)C
InChIInChI=1S/C16H23N3O4/c1-10(2)15(17-12(4)20)16(22)19-18-14(21)9-23-13-8-6-5-7-11(13)3/h5-8,10,15H,9H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyFGEGLJBTVJTKLB-HNNXBMFYSA-N
XLogP0.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
N-[3-methyl-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]butan-2-yl]acetamide
CID 24637576
N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
2-methoxy-N'-[2-(2-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4166134
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
CID 51673879
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
benzyl N-[(2S)-1-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55944322
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide (CID 9469812) is N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide is CC(=O)N[C@H](C(=O)NNC(=O)COc1ccccc1C)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
The InChIKey is FGEGLJBTVJTKLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(2)15(17-12(4)20)16(22)19-18-14(21)9-23-13-8-6-5-7-11(13)3/h5-8,10,15H,9H2,1-4H3,(H,17,20)(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide?
N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 9469812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).