(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide

C13H19N3O2 — CID 33479136

IUPAC(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide
SMILESCC(C)CC(=O)NN[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)8-11(17)15-16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3,(H2,14,18)(H,15,17)/t12-/m0/s1
InChIKeySIXLOCDFDULFHT-LBPRGKRZSA-N
MW249.31 g/mol
LogP0.88
Rot. Bonds6

About (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide

(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide (PubChem CID 33479136) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide
PubChem CID33479136
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide
SMILESCC(C)CC(=O)NN[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)8-11(17)15-16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3,(H2,14,18)(H,15,17)/t12-/m0/s1
InChIKeySIXLOCDFDULFHT-LBPRGKRZSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide
CID 33479134
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
2-[2-(4-methylbenzoyl)hydrazinyl]-2-phenylacetamide
CID 42939756
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
CID 43020201
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
2-(chloroamino)-2-phenylacetamide
CID 89152727
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
2-[2-(2,4-dimethylbenzoyl)hydrazinyl]-2-phenylacetamide
CID 42939767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide (CID 33479136) is (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide is CC(C)CC(=O)NN[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide?
The InChIKey is SIXLOCDFDULFHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)8-11(17)15-16-12(13(14)18)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3,(H2,14,18)(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide?
(2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-methylbutanoyl)hydrazinyl]-2-phenylacetamide is sourced from PubChem (CID 33479136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).