N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide

C12H17N3O2 — CID 4268964

IUPACN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
SMILESCCC(=O)NC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-2-11(16)14-10(12(17)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyODJUFAFADWYKBV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.11
Rot. Bonds5

About N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide

N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide (PubChem CID 4268964) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
PubChem CID4268964
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
SMILESCCC(=O)NC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O2/c1-2-11(16)14-10(12(17)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyODJUFAFADWYKBV-UHFFFAOYSA-N
XLogP0.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.11
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-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]methylboronic acid
CID 176980947
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
CID 134192634
CID 25233724
CID 25233724
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 122529674
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713

Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide?
The IUPAC name of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide (CID 4268964) is N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide is CCC(=O)NC(Cc1ccccc1)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide?
The InChIKey is ODJUFAFADWYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-11(16)14-10(12(17)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide?
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 4268964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).