N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide

C11H15N3O2 — CID 2802422

IUPACN-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
InChIInChI=1S/C11H15N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyMOHZWNYYBDQVIW-JTQLQIEISA-N
MW221.26 g/mol
LogP-0.28
Rot. Bonds4

About N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide

N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 2802422) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID2802422
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
InChIInChI=1S/C11H15N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyMOHZWNYYBDQVIW-JTQLQIEISA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 71695731
(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
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251
(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
CID 25233724
CID 25233724
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide (CID 2802422) is N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN.
What is the InChIKey of N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is MOHZWNYYBDQVIW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide?
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 221.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 2802422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).