benzyl N-amino-N-phenylcarbamate

C14H14N2O2 — CID 54267520

IUPACbenzyl N-amino-N-phenylcarbamate
SMILESNN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-16(13-9-5-2-6-10-13)14(17)18-11-12-7-3-1-4-8-12/h1-10H,11,15H2
InChIKeyJFMCMEDZEKDTIW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.70
Rot. Bonds3

About benzyl N-amino-N-phenylcarbamate

benzyl N-amino-N-phenylcarbamate (PubChem CID 54267520) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is benzyl N-amino-N-phenylcarbamate.

Molecular Properties

Compound Namebenzyl N-amino-N-phenylcarbamate
PubChem CID54267520
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namebenzyl N-amino-N-phenylcarbamate
SMILESNN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-16(13-9-5-2-6-10-13)14(17)18-11-12-7-3-1-4-8-12/h1-10H,11,15H2
InChIKeyJFMCMEDZEKDTIW-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.70
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

benzyl N-amino-N-(3-methoxyphenyl)carbamate
CID 70405892
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
2-amino-N-phenylacetohydrazide
CID 70067236
benzyl N-(N-phenylanilino)carbamate
CID 71360694
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511

Frequently Asked Questions

What is the IUPAC name of benzyl N-amino-N-phenylcarbamate?
The IUPAC name of benzyl N-amino-N-phenylcarbamate (CID 54267520) is benzyl N-amino-N-phenylcarbamate.
What is the SMILES notation for benzyl N-amino-N-phenylcarbamate?
The canonical SMILES for benzyl N-amino-N-phenylcarbamate is NN(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-amino-N-phenylcarbamate?
The InChIKey is JFMCMEDZEKDTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-16(13-9-5-2-6-10-13)14(17)18-11-12-7-3-1-4-8-12/h1-10H,11,15H2.
What are the key properties of benzyl N-amino-N-phenylcarbamate?
benzyl N-amino-N-phenylcarbamate has a molecular weight of 242.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-amino-N-phenylcarbamate is sourced from PubChem (CID 54267520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).