benzyl N-acetyl-N-aminocarbamate

C10H12N2O3 — CID 67604274

IUPACbenzyl N-acetyl-N-aminocarbamate
SMILESCC(=O)N(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-8(13)12(11)10(14)15-7-9-5-3-2-4-6-9/h2-6H,7,11H2,1H3
InChIKeyZEEVXBFQNJGDAW-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.05
Rot. Bonds2

About benzyl N-acetyl-N-aminocarbamate

benzyl N-acetyl-N-aminocarbamate (PubChem CID 67604274) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is benzyl N-acetyl-N-aminocarbamate.

Molecular Properties

Compound Namebenzyl N-acetyl-N-aminocarbamate
PubChem CID67604274
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namebenzyl N-acetyl-N-aminocarbamate
SMILESCC(=O)N(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-8(13)12(11)10(14)15-7-9-5-3-2-4-6-9/h2-6H,7,11H2,1H3
InChIKeyZEEVXBFQNJGDAW-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
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,N-dimethylcarbamate
CID 12963450
N-phenylmethoxyacetohydrazide
CID 174450270
benzyl acetate
CID 8785
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345

Frequently Asked Questions

What is the IUPAC name of benzyl N-acetyl-N-aminocarbamate?
The IUPAC name of benzyl N-acetyl-N-aminocarbamate (CID 67604274) is benzyl N-acetyl-N-aminocarbamate.
What is the SMILES notation for benzyl N-acetyl-N-aminocarbamate?
The canonical SMILES for benzyl N-acetyl-N-aminocarbamate is CC(=O)N(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-acetyl-N-aminocarbamate?
The InChIKey is ZEEVXBFQNJGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-8(13)12(11)10(14)15-7-9-5-3-2-4-6-9/h2-6H,7,11H2,1H3.
What are the key properties of benzyl N-acetyl-N-aminocarbamate?
benzyl N-acetyl-N-aminocarbamate has a molecular weight of 208.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-acetyl-N-aminocarbamate is sourced from PubChem (CID 67604274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).