phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate

C18H20N2O2 — CID 23660943

IUPACphenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
SMILESCC(C)(C)/N=C(/NC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-17(21)22-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,19,20,21)
InChIKeyQIVQYGMWYSVLIB-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.02
Rot. Bonds2

About phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate

phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate (PubChem CID 23660943) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate.

Molecular Properties

Compound Namephenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
PubChem CID23660943
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namephenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
SMILESCC(C)(C)/N=C(/NC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-17(21)22-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,19,20,21)
InChIKeyQIVQYGMWYSVLIB-UHFFFAOYSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.02
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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Related Compounds

phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
CID 23660946
N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide
CID 11118811
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
CID 23660949
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-(methylamino)carbamate
CID 59676988
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508

Frequently Asked Questions

What is the IUPAC name of phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate?
The IUPAC name of phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate (CID 23660943) is phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate.
What is the SMILES notation for phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate?
The canonical SMILES for phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate is CC(C)(C)/N=C(/NC(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate?
The InChIKey is QIVQYGMWYSVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-17(21)22-15-12-8-5-9-13-15/h4-13H,1-3H3,(H,19,20,21).
What are the key properties of phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate?
phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate is sourced from PubChem (CID 23660943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).