ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate

C12H17N3O3 — CID 102520251

IUPACethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)14-10(11(16)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyWKRNJEUSBHLULB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.33
Rot. Bonds5

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

ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate (PubChem CID 102520251) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
PubChem CID102520251
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)14-10(11(16)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyWKRNJEUSBHLULB-UHFFFAOYSA-N
XLogP0.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

benzyl N-[1-(2-ethoxycarbonylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 12802541
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
ethyl N-(4,4-dibromo-3-oxo-1-phenylbutan-2-yl)carbamate
CID 22066221
ethyl (3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 14393171
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 12879039
methyl N-[(2R)-1-(methoxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10682227
ethyl 3-phenyl-2-[2-(phenylmethoxycarbonylamino)butanoylamino]propanoate;propane
CID 143293600
ethyl 3-[[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]carbamoyl]oxirane-2-carboxylate
CID 10343980
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 122529674

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate (CID 102520251) is ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate is CCOC(=O)NC(Cc1ccccc1)C(=O)NN.
What is the InChIKey of ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate?
The InChIKey is WKRNJEUSBHLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-12(17)14-10(11(16)15-13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate?
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate has a molecular weight of 251.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 102520251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).