N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide

C12H16N2O2 — CID 92529724

IUPACN-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1)/C(C)=N\O
InChIInChI=1S/C12H16N2O2/c1-9(14-16)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12,16H,8H2,1-2H3,(H,13,15)/b14-9-/t12-/m1/s1
InChIKeyRRIBAUUKVRHEEJ-OJLMPMFISA-N
MW220.27 g/mol
LogP1.58
Rot. Bonds4

About N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide

N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide (PubChem CID 92529724) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
PubChem CID92529724
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1)/C(C)=N\O
InChIInChI=1S/C12H16N2O2/c1-9(14-16)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12,16H,8H2,1-2H3,(H,13,15)/b14-9-/t12-/m1/s1
InChIKeyRRIBAUUKVRHEEJ-OJLMPMFISA-N
XLogP1.58
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(5S)-5-acetamido-2,4-dioxo-6-phenylhexanoic acid
CID 101050803
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide (CID 92529724) is N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide is CC(=O)N[C@H](Cc1ccccc1)/C(C)=N\O.
What is the InChIKey of N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide?
The InChIKey is RRIBAUUKVRHEEJ-OJLMPMFISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(14-16)12(13-10(2)15)8-11-6-4-3-5-7-11/h3-7,12,16H,8H2,1-2H3,(H,13,15)/b14-9-/t12-/m1/s1.
What are the key properties of N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide?
N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 92529724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).