phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate

C19H22N2O2 — CID 23660949

IUPACphenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
SMILESCC(C)(C)/N=C(/Cc1ccccc1)NC(=O)Oc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)20-18(22)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,20,21,22)
InChIKeyLAAJYRSIGLGVJM-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.21
Rot. Bonds3

About phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate

phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate (PubChem CID 23660949) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate.

Molecular Properties

Compound Namephenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
PubChem CID23660949
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namephenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
SMILESCC(C)(C)/N=C(/Cc1ccccc1)NC(=O)Oc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)20-18(22)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,20,21,22)
InChIKeyLAAJYRSIGLGVJM-UHFFFAOYSA-N
XLogP4.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate?
The IUPAC name of phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate (CID 23660949) is phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate.
What is the SMILES notation for phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate?
The canonical SMILES for phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate is CC(C)(C)/N=C(/Cc1ccccc1)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate?
The InChIKey is LAAJYRSIGLGVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)21-17(14-15-10-6-4-7-11-15)20-18(22)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,20,21,22).
What are the key properties of phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate?
phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate is sourced from PubChem (CID 23660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).