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

C13H18N2O2 — CID 23660946

IUPACphenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
SMILESC/C(=N\C(C)(C)C)NC(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15-13(2,3)4)14-12(16)17-11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15,16)
InChIKeyLVBCBCHRWTXADA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.99
Rot. Bonds1

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

phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate (PubChem CID 23660946) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate.

Molecular Properties

Compound Namephenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
PubChem CID23660946
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namephenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
SMILESC/C(=N\C(C)(C)C)NC(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15-13(2,3)4)14-12(16)17-11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15,16)
InChIKeyLVBCBCHRWTXADA-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.99
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-phenylcarbonimidoyl)carbamate
CID 23660943
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
CID 23660949
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572

Frequently Asked Questions

What is the IUPAC name of phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate?
The IUPAC name of phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate (CID 23660946) is phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate.
What is the SMILES notation for phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate?
The canonical SMILES for phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate is C/C(=N\C(C)(C)C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate?
The InChIKey is LVBCBCHRWTXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(15-13(2,3)4)14-12(16)17-11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15,16).
What are the key properties of phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate?
phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.99, 1 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-methylcarbonimidoyl)carbamate is sourced from PubChem (CID 23660946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).