benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate

C23H23N3O3 — CID 60596176

IUPACbenzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O3/c27-22(16-24-23(28)29-18-20-12-6-2-7-13-20)25-26(21-14-8-3-9-15-21)17-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,24,28)(H,25,27)
InChIKeyCFYLKUOJLWZMCY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.65
Rot. Bonds8

About benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate

benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate (PubChem CID 60596176) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
PubChem CID60596176
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namebenzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O3/c27-22(16-24-23(28)29-18-20-12-6-2-7-13-20)25-26(21-14-8-3-9-15-21)17-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,24,28)(H,25,27)
InChIKeyCFYLKUOJLWZMCY-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]-2-methylbutanamide
CID 60550490
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(N-phenylanilino)carbamate
CID 71360694
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate (CID 60596176) is benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate?
The InChIKey is CFYLKUOJLWZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(16-24-23(28)29-18-20-12-6-2-7-13-20)25-26(21-14-8-3-9-15-21)17-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,24,28)(H,25,27).
What are the key properties of benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate?
benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate has a molecular weight of 389.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 60596176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).