tert-butyl N-(2-benzamidophenyl)iminocarbamate

C18H19N3O3 — CID 135025532

IUPACtert-butyl N-(2-benzamidophenyl)iminocarbamate
SMILESCC(C)(C)OC(=O)/N=N/c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)24-17(23)21-20-15-12-8-7-11-14(15)19-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,22)/b21-20+
InChIKeyCSTAFWTUHXABPL-QZQOTICOSA-N
MW325.37 g/mol
LogP4.96
Rot. Bonds3

About tert-butyl N-(2-benzamidophenyl)iminocarbamate

tert-butyl N-(2-benzamidophenyl)iminocarbamate (PubChem CID 135025532) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl N-(2-benzamidophenyl)iminocarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-benzamidophenyl)iminocarbamate
PubChem CID135025532
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nametert-butyl N-(2-benzamidophenyl)iminocarbamate
SMILESCC(C)(C)OC(=O)/N=N/c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)24-17(23)21-20-15-12-8-7-11-14(15)19-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,22)/b21-20+
InChIKeyCSTAFWTUHXABPL-QZQOTICOSA-N
XLogP4.96
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(butanoylamino)phenyl]iminocarbamate
CID 122376038
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
N-[2-(methylamino)phenyl]benzamide
CID 101444547
[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
CID 66622033
tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674951
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[N'-(4-benzamidophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 135844989
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-propan-2-ylphenyl)benzamide
CID 723391

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-benzamidophenyl)iminocarbamate?
The IUPAC name of tert-butyl N-(2-benzamidophenyl)iminocarbamate (CID 135025532) is tert-butyl N-(2-benzamidophenyl)iminocarbamate.
What is the SMILES notation for tert-butyl N-(2-benzamidophenyl)iminocarbamate?
The canonical SMILES for tert-butyl N-(2-benzamidophenyl)iminocarbamate is CC(C)(C)OC(=O)/N=N/c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-benzamidophenyl)iminocarbamate?
The InChIKey is CSTAFWTUHXABPL-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18(2,3)24-17(23)21-20-15-12-8-7-11-14(15)19-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,19,22)/b21-20+.
What are the key properties of tert-butyl N-(2-benzamidophenyl)iminocarbamate?
tert-butyl N-(2-benzamidophenyl)iminocarbamate has a molecular weight of 325.37 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-benzamidophenyl)iminocarbamate is sourced from PubChem (CID 135025532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).