benzyl N-amino-N-benzylcarbamate;hydrochloride

C15H17ClN2O2 — CID 172789622

IUPACbenzyl N-amino-N-benzylcarbamate;hydrochloride
SMILESCl.NN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H16N2O2.ClH/c16-17(11-13-7-3-1-4-8-13)15(18)19-12-14-9-5-2-6-10-14;/h1-10H,11-12,16H2;1H
InChIKeyPJNJXFHGCIMARR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.12
Rot. Bonds4

About benzyl N-amino-N-benzylcarbamate;hydrochloride

benzyl N-amino-N-benzylcarbamate;hydrochloride (PubChem CID 172789622) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is benzyl N-amino-N-benzylcarbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-amino-N-benzylcarbamate;hydrochloride
PubChem CID172789622
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Namebenzyl N-amino-N-benzylcarbamate;hydrochloride
SMILESCl.NN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H16N2O2.ClH/c16-17(11-13-7-3-1-4-8-13)15(18)19-12-14-9-5-2-6-10-14;/h1-10H,11-12,16H2;1H
InChIKeyPJNJXFHGCIMARR-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
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

amino(benzyl)carbamoperoxoic acid
CID 139935569
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
amino(benzyl)carbamic acid
CID 18704089
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl N-amino-N-(2-methylsulfonylethyl)carbamate
CID 10492407
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl carbamate;heptahydrochloride
CID 141351835
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744

Frequently Asked Questions

What is the IUPAC name of benzyl N-amino-N-benzylcarbamate;hydrochloride?
The IUPAC name of benzyl N-amino-N-benzylcarbamate;hydrochloride (CID 172789622) is benzyl N-amino-N-benzylcarbamate;hydrochloride.
What is the SMILES notation for benzyl N-amino-N-benzylcarbamate;hydrochloride?
The canonical SMILES for benzyl N-amino-N-benzylcarbamate;hydrochloride is Cl.NN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-amino-N-benzylcarbamate;hydrochloride?
The InChIKey is PJNJXFHGCIMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c16-17(11-13-7-3-1-4-8-13)15(18)19-12-14-9-5-2-6-10-14;/h1-10H,11-12,16H2;1H.
What are the key properties of benzyl N-amino-N-benzylcarbamate;hydrochloride?
benzyl N-amino-N-benzylcarbamate;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-amino-N-benzylcarbamate;hydrochloride is sourced from PubChem (CID 172789622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).